SCHEMBL16477969

SCHEMBL16477969

CCCCCCC1(CCCCCC)c2cc(C(=O)c3ccc(OC)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(C(=O)c4ccc(OC)cc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(C(=O)c3ccc(OC)cc3)ccc2-1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ STS P08842 2/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 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
SCHEMBL16477992 0.87 CNR2 (0.43) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL16477961 0.82 RAB9A (0.40) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL16477965 0.81 CNR2 (0.39) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL16477967 0.79 CNR2 (0.39) ALDH1A1LMNAKMT2ACNR2PTPN11
SCHEMBL16477970 0.78 PDK2 (0.46) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL16477975 0.77 PPARG (0.33) MAPTRAB9AMEN1KMT2ACNR2
SCHEMBL16477977 0.77 THRA (0.36) ALDH1A1GAALMNAMAPTHPGD
SCHEMBL14060977 0.75 HSD17B1 (0.41) ALDH1A1MAPTMEN1KMT2APTPN11
SCHEMBL16477959 0.73 THRA (0.32) RAB9A
SCHEMBL16477978 0.73 PDK2 (0.41) ALDH1A1LMNAMAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382259-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2016-07-05 — — US disclosed
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups AMERICAN DYE SOURCE, INC. (CA) 2016-01-21 — — US disclosed
US-9127017-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2015-09-08 — — US disclosed
US-20140200350-A1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE, INC. (CA) 2014-07-17 — — 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 (2 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-20140200350-A1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS PPOX, SCO2, LPO MMP2 4088/4885MMP9 3916/4885MMP8 4250/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR MMP2 4079/4885MMP9 3856/4885MMP8 4286/4885

“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.

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