Sugi Predict

Sugi Predict / Compounds / SCHEMBL6897010

SCHEMBL6897010

SCHEMBL6897010

CC/C=C/CCC(=O)OC(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.46
▸ MAPT P10636 5/20 0.46
▸ CYP19A1 P11511 4/20 0.46
▸ PPARG P37231 3/20 0.46
▸ OXER1 Q8TDS5 3/20 0.46
▸ RXRA P19793 2/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.42
▸ NR1I2 O75469 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ PGR P06401 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ F7 P08709 3/20 0.39
▸ F3 P13726 3/20 0.39
▸ PTGS1 P23219 3/20 0.39

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
SCHEMBL12116747 1.00 ALDH1A1 (0.46) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL15483549 0.88 ALDH1A1 (0.56) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL12437914 0.88 ALDH1A1 (0.56) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL12116842 0.87 ALDH1A1 (0.44) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL6896864 0.87 ALDH1A1 (0.44) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL14899320 0.86 LMNA (0.50) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL6892443 0.82 ALDH1A1 (0.34) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL12116950 0.81 ADORA3 (0.47) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL12414828 0.80 FAAH (0.51) ALDH1A1MAPTADORA3NR1I2PTGS2
SCHEMBL12116746 0.80 FAAH (0.51) ALDH1A1MAPTADORA3NR1I2PTGS2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 — — US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 — — US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 — — US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 — — US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 — — US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 — — US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 — — US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 — — US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 — — US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — US 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 (10 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885MAPT 165/4885CYP19A1 712/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885MAPT 165/4885CYP19A1 712/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885MAPT 2880/4885CYP19A1 1417/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885MAPT 2880/4885CYP19A1 1417/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885MAPT 165/4885CYP19A1 712/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885MAPT 349/4885CYP19A1 1038/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885MAPT 363/4885CYP19A1 300/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ALDH1A1 1082/4885MAPT 2880/4885CYP19A1 1417/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ALDH1A1 172/4885MAPT 3806/4885CYP19A1 38/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885MAPT 165/4885CYP19A1 712/4885

“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.