SCHEMBL9623345

SCHEMBL9623345

O=C(O)CCC1=CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL988376 0.94 TAAR1 (0.53) HPGDTAAR1FFAR1ALDH1A1MEN1
SCHEMBL11615931 0.92 TAAR1 (0.51) HPGDTAAR1FFAR1ALDH1A1MEN1
SCHEMBL12132006 0.88 ALDH1A1 (0.49) HPGDTAAR1FFAR1ALDH1A1MEN1
SCHEMBL28343241 0.86 ALDH1A1 (0.44) HPGDTAAR1FFAR1ALDH1A1MEN1
SCHEMBL2477399 0.84 F13A1 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL31261412 0.84 F13A1 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL27641655 0.84 F13A1 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL4558608 0.84 F13A1 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL9533116 0.84 F13A1 (0.47) HPGDTAAR1ALDH1A1MEN1KMT2A
SCHEMBL9812097 0.83 ALDH1A1 (0.43) HPGDTAAR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013024-A Ligand-drug conjugate of camptothecin analogue, intermediate, preparation method, pharmaceutical composition and application thereof 上海盟科药业股份有限公司 2024-11-22 CN disclosed
CN-118924913-A Novel camptothecin analogue ligand-drug conjugate, intermediate, pharmaceutical composition and application thereof 上海盟科药业股份有限公司 2024-11-12 CN disclosed
US-20180028552-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2018-02-01 US disclosed
WO-2016123626-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2016-08-04 WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
EP-0262388-B1 DERIVATIVES OF 2-TERT.-BUTYL-4-METHYL-CYCLOHEXANOL, THEIR PREPARATION AND USE AS FRAGRANCE COMPOUNDS BASF Aktiengesellschaft (DE) 1992-03-04 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 (1 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-20180028552-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, EZH2, EHMT1 HPGD 2762/4885TAAR1 4228/4885FFAR1 4124/4885

“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.