SCHEMBL1440918

SCHEMBL1440918

CC(C)COC(=O)C1(C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.36
FFAR3 O14843 1/20 0.34
FSHR P23945 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1439601 0.98 TSHR (0.39) TSHRALDH1A1RAB9AFFAR3FSHR
SCHEMBL14961961 0.94 TSHR (0.44) TSHRALDH1A1RAB9AFFAR3FSHR
SCHEMBL11167364 0.85 APOBEC3A (0.35) TSHRALDH1A1FFAR3FSHRSMN1; SMN2
SCHEMBL8080075 0.83 ALDH1A1 (0.32) TSHRALDH1A1FFAR3TDP1MEN1
SCHEMBL24763400 0.82 OPRM1 (0.37) TSHRALDH1A1RAB9ATDP1MEN1
SCHEMBL3020102 0.82 TSHR (0.40) TSHRALDH1A1RAB9AFFAR3TDP1
SCHEMBL13518446 0.82 TSHR (0.41) TSHRALDH1A1RAB9AFSHRTDP1
SCHEMBL232259 0.80 TSHR (0.39) TSHRALDH1A1RAB9AFSHRTDP1
SCHEMBL16949830 0.80 TSHR (0.39) TSHRALDH1A1RAB9AFSHRTDP1
SCHEMBL11155103 0.78 KDM4E (0.39) ALDH1A1FFAR3MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 US disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 EP disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed
US-5242914-A 2-(heterocyclylthio) carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY, LIMITED (JP) 1993-09-07 US disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885RAB9A 1430/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885RAB9A 1430/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885RAB9A 853/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.