SCHEMBL581464

SCHEMBL581464

CCC(=O)c1ccc(C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
HSP90AB1 P08238 1/20 0.50
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL5569924 0.84 MEN1 (0.51) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31693367 0.83 MEN1 (0.65) HSP90AB1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9720686 0.83 MEN1 (0.65) HSP90AB1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2648128 0.83 HSD11B1 (0.54) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30016132 0.82 GSK3B (0.59) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9639259 0.82 HSP90AB1 (0.69) HSP90AB1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11824924 0.82 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1434608 0.82 GSK3B (0.59) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8420333 0.82 RAB9A (0.56) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8744712 0.82 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410077-A Preparation method of 2,4, 6-trimethyl benzoic acid 甘肃青宇新材料有限公司 2023-07-11 CN claimed
CN-108906124-B Application of rare earth metal tricyclocene complex as catalyst in catalysis of synthesis reaction of ketone and pinacol borane 苏州大学 2020-11-17 CN claimed
CN-101500996-B (3-amino-1,2,3,4-tetrahydro-9h-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2012-07-04 CN claimed
WO-1991010635-A1 PROCESS FOR PREPARING 2,4,6-TRIMETHYLACETOPHENONE HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-25 WO claimed
EP-0043480-B1 PROCESS FOR FORMING METALLIC IMAGES Hitachi, Ltd. (JP) 1985-04-03 EP claimed
US-4347304-A PHOTOSENSITIZATION WITH DISILANES OR ORGANIC COMPOUNDS HAVING COUPLED GERMANIUM OR TIN MOLECULES; PHOTORESISTS; POSITIVES; PLATING HITACHI, LTD. (JP) 1982-08-31 US claimed
US-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis THE UNIVERSITY OF CHICAGO (US) 2024-07-23 US disclosed
CN-116854621-A Photosensitizer taking pentamethine cyanine dye as matrix, and synthesis method and application thereof 大连理工大学 2023-10-10 CN disclosed
CN-116410077-A Preparation method of 2,4, 6-trimethyl benzoic acid 甘肃青宇新材料有限公司 2023-07-11 CN disclosed
CN-116410077-A Preparation method of 2,4, 6-trimethyl benzoic acid 甘肃青宇新材料有限公司 2023-07-11 CN disclosed
CN-113292606-B Metal complex, organic electroluminescent material, light-emitting device, and electronic device 北京八亿时空液晶科技股份有限公司 2023-04-07 CN disclosed
US-11440924-B2 Method for preparing borate ester on basis of tricyclopentadienyl rare earth metal complex SOOCHOW UNIVERSITY (CN) 2022-09-13 US disclosed
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity Zander Biologics, Inc (US) 2022-07-05 US disclosed
EP-0046194-B1 PROCESS FOR THE PREPARATION OF O,O-DISUBSTITUTED BENZOIC ACIDS AND THEIR SALTS BASF Aktiengesellschaft (DE) 1983-10-05 EP disclosed
US-4347304-A PHOTOSENSITIZATION WITH DISILANES OR ORGANIC COMPOUNDS HAVING COUPLED GERMANIUM OR TIN MOLECULES; PHOTORESISTS; POSITIVES; PLATING HITACHI, LTD. (JP) 1982-08-31 US disclosed
EP-0046194-A1 Process for the preparation of o,o-disubstituted benzoic acids and their salts BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed
US-4182730-A Process for the preparation of substituted dihydrocinnamaldehydes via novel β-chlorocinnamaldehydes GIVAUDAN CORPORATION (US) 1980-01-08 US disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed
US-3975373-A CYCLOPENTANONE HELVETICOSIDE JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-08-17 US disclosed
US-3951946-A Cardioglycoside derivatives of the strophanthidin type, a process for their manufacture and medicinal preparations containing these compounds JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-04-20 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 (3 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-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis CD69, TECR, MCM4 HSD11B1 4228/4885HSP90AB1 4708/4885NPC1 3995/4885
US-11440924-B2 Method for preparing borate ester on basis of tricyclopentadienyl rare earth metal complex ELOVL3, CDK3, NCAPD3 HSD11B1 1188/4885HSP90AB1 4513/4885NPC1 1721/4885
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity NR4A2, NR2C2, NR2F2 HSD11B1 1416/4885HSP90AB1 1937/4885NPC1 1681/4885

“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.