SCHEMBL16477968

SCHEMBL16477968

CCCCCCC1(CCCCCC)c2cc(-c3ccccc3C(C)=O)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccccc4C(C)=O)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccccc3C(C)=O)ccc2-1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ PDK2 Q15119 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ HSD17B3 P37058 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ CTSA P10619 1/20 0.34

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
SCHEMBL14060977 0.83 HSD17B1 (0.41) PTPN11ALDH1A1
SCHEMBL16477961 0.80 RAB9A (0.40) PDK2HSD17B3ALDH1A1LMNA
SCHEMBL16477987 0.77 PTPN11 (0.35) PTPN11PDK2ALDH1A1
SCHEMBL16477967 0.77 CNR2 (0.39) PTPN11TSHRALDH1A1LMNA
SCHEMBL16477992 0.76 CNR2 (0.43) PDK2ALDH1A1
SCHEMBL134767 0.76 SLC6A3 (0.50) PTPN11PDK2TSHRALDH1A1LMNA
SCHEMBL16477977 0.75 THRA (0.36) PDK2HSD17B3ALDH1A1LMNA
SCHEMBL16477991 0.75 MGLL (0.34) PTPN11LMNA
SCHEMBL2625110 0.75 PDK2 (0.47) PTPN11PDK2TSHRALDH1A1LMNA
SCHEMBL16477966 0.75 PTPN11 (0.36) PTPN11PDK2ALDH1A1

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 PTPN11 3309/4885CHEK1 1341/4885PDK2 1248/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR PTPN11 3497/4885CHEK1 1437/4885PDK2 1309/4885

“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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