SCHEMBL10140560

SCHEMBL10140560

Cc1cc2ccc(C(C)C)cc2oc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.60
ACHE P22303 2/20 0.42
NPC1 O15118 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
PTPN1 P18031 1/20 0.42
RAB9A P51151 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
MAOB P27338 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MAOA P21397 2/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL10263015 0.86 HSD17B3 (0.47) HSD17B3GPR55MAOBCA12CA1
SCHEMBL889359 0.83 ACHE (0.42) HSD17B3ACHENPC1MGAMGAA
SCHEMBL12462979 0.81 ACHE (0.41) HSD17B3ACHENPC1MGAMGAA
SCHEMBL21348171 0.80 MAOB (0.44) HSD17B3ACHENPC1MGAMGAA
SCHEMBL5617809 0.78 MAOB (0.68) ACHENPC1RAB9AMAOBCA12
SCHEMBL17471242 0.78 LMNA (0.41) HSD17B3ACHENPC1MGAMGAA
SCHEMBL890223 0.78 HSD17B3 (0.68) HSD17B3ACHEMAOBCA12CA1
SCHEMBL14756680 0.77 GAA (0.59) ACHENPC1MGAMGAASI
SCHEMBL14015640 0.76 NPC1 (0.58) ACHENPC1MGAMGAASI
SCHEMBL31415663 0.75 HSD17B3 (0.64) HSD17B3ACHEMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20140227260-A1 AMINOPYRIMIDINE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (5 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B3 597/4885ACHE 4018/4885NPC1 36/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 HSD17B3 1855/4885ACHE 4278/4885NPC1 429/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B3 597/4885ACHE 4018/4885NPC1 36/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HSD17B3 1219/4885ACHE 4053/4885NPC1 448/4885
US-20140227260-A1 AMINOPYRIMIDINE INHIBITORS OF TYROSINE KINASE ABL1, DPYD, LCK HSD17B3 3988/4885ACHE 4767/4885NPC1 4259/4885

“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.