SCHEMBL548870

SCHEMBL548870

O=Cc1c2ccccc2c2ccc3cccc4ccc1c2c43

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 3/20 0.54
THRB P10828 1/20 0.54
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
ERN1 O75460 1/20 0.46
PADI4 Q9UM07 1/20 0.46
HPRT1 P00492 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL548054 0.84 ALDH1A1 (0.48) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL11483782 0.81 ERN1 (0.53) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL978669 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL28219485 0.80 ALDH1A1 (0.54) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL1982386 0.78 HSD17B10 (0.71) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL28892016 0.76 ERN1 (0.44) CYP1A2ALDH1A1HSD17B10HPGDERBB2
SCHEMBL29968179 0.76 ERN1 (0.44) CYP1A2ALDH1A1HSD17B10HPGDERBB2
SCHEMBL4853423 0.76 ALDH1A1 (0.76) CYP1A2ALDH1A1HSD17B10HPGDTHRB
Benzo[E]Pyrene SCHEMBL28088020 0.75 ALDH1A1 (0.94) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL27866791 0.75 ALDH1A1 (0.48) CYP1A2ALDH1A1THRBAHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 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
EP-1739485-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2016-08-31 EP 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
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-7871751-B2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-18 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
US-4827034-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-05-02 US disclosed
US-4818443-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-04-04 US disclosed
US-4814502-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-21 US disclosed
US-4810823-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-07 US disclosed
US-4808753-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-02-28 US disclosed
US-4791233-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791231-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791232-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
EP-0182609-A2 Polycyclic biocidal compounds, their synthesis, formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP 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

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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS CYP1A2 2962/4885ALDH1A1 4594/4885HSD17B10 4211/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 CYP1A2 2215/4885ALDH1A1 1078/4885HSD17B10 3495/4885

“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.