SCHEMBL386156

SCHEMBL386156

Cc1cccc2[c]cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
CYP2A6 P11509 3/20 0.55
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
AHR P35869 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KIF11 P52732 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18317227 0.85 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL67474 0.83 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL18317416 0.78 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2318595 0.78 CYP1A2 (0.32) CYP1A2CYP2A6
SCHEMBL4307895 0.77 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2411016 0.76 CYP1A2 (0.32) CYP1A2CYP2A6
SCHEMBL2256346 0.76 ALDH1A1 (0.55) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL668081 0.76 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL9551471 0.76 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL386939 0.74 HSD17B10 (0.44) CYP1A2ALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-05-31 US claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
EP-3156403-B1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2019-08-28 EP claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
EP-2778160-B1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT TOSOH CORP (JP) 2018-01-10 EP claimed
US-9391279-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-12 US claimed
CN-101142169-B Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO.,LTD. (JP) 2011-12-21 CN claimed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US claimed
CN-101987822-A Organic electroluminescent material and application thereof BEIJING VISIONOX TECHNOLOGY CO 2011-03-23 CN claimed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US claimed
US-7737628-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-06-15 US claimed
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT TOSOH CORPORATION (JP) 2009-11-12 US claimed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP claimed
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP claimed
EP-0934992-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-07-21 EP claimed
US-5236941-A Hypoglycemic agents, diabetes AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-17 US claimed

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-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, DDC, EML4 CYP1A2 1093/4885CYP2A6 2958/4885ALDH1A1 272/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 CYP1A2 115/4885CYP2A6 186/4885ALDH1A1 418/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 CYP1A2 156/4885CYP2A6 2548/4885ALDH1A1 263/4885
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element TYR, LEF1, EFNA1 CYP1A2 156/4885CYP2A6 2548/4885ALDH1A1 263/4885
US-20090281311-A1 1,3,5-TRIAZINE DERIVATIVE, PRODUCTION METHOD THEREOF AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THIS AS A COMPOSING COMPONENT KCNJ2, KCNA4, KCNJ4 CYP1A2 459/4885CYP2A6 2133/4885ALDH1A1 699/4885

“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.