SCHEMBL16477978

SCHEMBL16477978

C=C(c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1c-2c2c(c3c1-c1ccc(C(=O)c4cccs4)cc1C3(CCCCCC)CCCCCC)-c1ccc(C(=O)c3cccs3)cc1C2(CCCCCC)CCCCCC)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ HPGD P15428 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NR0B1 P51843 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33

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
SCHEMBL16477970 0.94 PDK2 (0.46) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL16477965 0.81 CNR2 (0.39) PDK2CNR2ALDH1A1
SCHEMBL16477992 0.78 CNR2 (0.43) PDK2HPGDCNR2ALDH1A1
SCHEMBL16477961 0.75 RAB9A (0.40) PDK2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16477977 0.75 THRA (0.36) PDK2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16477967 0.74 CNR2 (0.39) TSHRCNR2CNR1HTTSMN1; SMN2
SCHEMBL16477969 0.73 MMP2 (0.43) HPGDNPC1RAB9AHDAC1CNR2
SCHEMBL21024782 0.73 PDK2 (0.61) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL22958621 0.72 PDK2 (0.37) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL21024707 0.70 PDK2 (0.44) PDK2HPGDNPC1RAB9ATSHR

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 PDK2 1248/4885HPGD 886/4885NPC1 2811/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR PDK2 1309/4885HPGD 883/4885NPC1 2687/4885

“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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