SCHEMBL547797

SCHEMBL547797

O=CC1C=Cc2cccc3cccc1c23

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP1B1 Q16678 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28960018 0.85 ALDH1A1 (0.32) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27743010 0.83
SCHEMBL27730862 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL7770902 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL3753725 0.82 MEN1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL3267056 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27515066 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27973655 0.81
SCHEMBL194747 0.79 HTR2A (0.38) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL28805395 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111587403-B Composition for hard mask 东友精细化工有限公司 2023-09-19 CN claimed
CN-111587403-A Composition for hard mask 东友精细化工有限公司 2020-08-25 CN claimed
CN-111587403-B Composition for hard mask 东友精细化工有限公司 2023-09-19 CN disclosed
CN-111587403-A Composition for hard mask 东友精细化工有限公司 2020-08-25 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
CN-101292004-B Coating compositions and methods VALSPAR SOURCING INC 2012-06-27 CN disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
WO-2003104167-A2 CYANOHYDRIN ETHERS AND ESTERS AS HIGH-SENSITIVITY ENZYME SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-18 WO disclosed
CN-1110497-C Di- Or triaza-spiral [4,5] decane derivative HOFFMANN LA ROCHE (CH) 2003-06-04 CN disclosed
US-20030057826-A1 Nitrogen-containing heterocyclic compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-27 US disclosed
US-6528675-B1 Spectrophotometrically active moieties; detecting, monitoring, and measuring activity of enzymes that cause cleavage of certain substrates; wider band width, simpler and less costly optics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-03-04 US disclosed
US-6440588-B1 1,4-DIAZEPINE COMPOUND WITH ELECTRON ATTRACTIVE GROUP SELECTED FROM THE GROUP CONSISTING OF CYANO GROUP, AN ACYL GROUP, AND AN ALKOXY GROUP DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-27 US disclosed
US-20020091256-A1 Azepine compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-11 US disclosed
CN-1244528-A Di- Or triaza-spiral [4,5] decane derivative HOFFMANN LA ROCHE (CH) 2000-02-16 CN disclosed
US-4121338-A Non-shorting wire cutter RAYCHEM CORPORATION (US) 1978-10-24 US disclosed
US-4023272-A Non-shorting wire cutter RAYCHEM CORPORATION (US) 1977-05-17 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 (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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS ALDH1A1 4594/4885CYP1A1 2019/4885CYP1A2 2962/4885
US-20030057826-A1 Nitrogen-containing heterocyclic compound NOD1, CYC1, NAP1L1 ALDH1A1 1694/4885CYP1A1 52/4885CYP1A2 307/4885
US-20020091256-A1 Azepine compounds AZI2, ARL1, APOL1 ALDH1A1 440/4885CYP1A1 132/4885CYP1A2 251/4885

“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.