SCHEMBL6233392

SCHEMBL6233392

CC(C)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
MAPT P10636 1/20 0.62
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
CA7 P43166 4/20 0.56
CA14 Q9ULX7 4/20 0.56
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
CA6 P23280 1/20 0.47
AKR1C3 P42330 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46

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
SCHEMBL30678268 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL43683 0.92 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL7917046 0.87 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL27881030 0.86 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6229106 0.86 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL27683331 0.85 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
Benzoic Acid 1-Methylethyl Ester SCHEMBL29187646 0.85 PDCD1 (0.70) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL28527331 0.84 RAB9A (0.47) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL5839605 0.84 CA12 (0.64) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6572213 0.84 PDCD1 (0.69) NPC1RAB9ASMN1; SMN2HTTMAPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478563-B Method for rapidly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2023-09-29 CN claimed
CN-114478563-A Method for quickly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2022-05-13 CN claimed
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2024-07-16 US disclosed
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2024-07-16 US disclosed
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-01-25 US disclosed
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-01-25 US disclosed
CN-114478563-B Method for rapidly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2023-09-29 CN disclosed
CN-114478563-A Method for quickly crystallizing isosorbide 国科温州研究院(温州生物材料与工程研究所) 2022-05-13 CN disclosed
EP-1273596-B1 FLEXIBLE POLYPROPYLENE RESIN IDEMITSU KOSAN CO (JP) 2005-03-30 EP disclosed
US-6855756-B2 Soft polypropylene resin having a melt index falling in a specific range, prepared by melting and kneading a propylene homo or copolymer each having specific properties in presence of a radical generating agent IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2005-02-15 US disclosed
US-6545069-B2 Ultraviolet radiation shields IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-04-08 US disclosed
EP-0784074-A1 PROPYLENE RESIN COMPOSITION FOR INTERIOR MATERIAL FOR AUTOMOBILES, AND INTERIOR MATERIAL FOR AUTOMOBILES IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-07-16 EP disclosed
EP-0744439-A1 Polypropylene composition comprising lubricants for calendering IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1996-11-27 EP disclosed
EP-0294767-B1 PROCESS FOR PRODUCING POLYBUTENE-1 IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1993-08-25 EP disclosed
EP-0249984-B1 PROCESS FOR PRODUCING BUTENE-1 POLYMER IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-01-08 EP disclosed
EP-0419874-A2 Composition of polybutene-1 and process for preparing same IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-04-03 EP disclosed
EP-0402958-A1 Process for producing butene-1 polymer IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1990-12-19 EP disclosed
EP-0294767-A1 Process for producing polybutene-1 IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-12-14 EP disclosed
EP-0249984-A2 Process for producing butene-1 polymer IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-12-23 EP disclosed
US-4107150-A High impact terephthalate copolyesters using 1,4-butanediol and 1,4-cyclohexanedimethanol PHILLIPS PETROLEUM COMPANY (US) 1978-08-15 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-12037330-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 NPC1 2029/4885RAB9A 929/4885SMN1; SMN2 4848/4885
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 NPC1 2029/4885RAB9A 929/4885SMN1; SMN2 4848/4885

“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.