SCHEMBL6891640

SCHEMBL6891640

Cc1c2ccccc2cc2cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
CYP2A6 P11509 5/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 5/20 0.48
HIF1A Q16665 2/20 0.48
CYP1B1 Q16678 1/20 0.48
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HTR2A P28223 1/20 0.41
NQO1 P15559 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL797237 0.93 NQO1 (0.46) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29360084 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL119090 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL27879112 0.87 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28178967 0.87 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Hydrogen Sulfide SCHEMBL27306888 0.87 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL6885497 0.87 CYP1A2 (0.63) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL4646013 0.83 HSD17B10 (0.50) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL28999606 0.83 CYP1A2 (0.58) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29853748 0.83 CYP1A2 (0.58) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148541-A1 AN APPROACH TO A BOTTOM-UP SYNTHESIS OF NANOCARBONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-05-14 US disclosed
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP disclosed
US-6768132-B2 MULTILAYER INTEGRATED CIRCUIT; BARRIER DIELECTRIC AND SEMICONDUCTOR 3M INNOVATIVE PROPERTIES COMPANY 2004-07-27 US disclosed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO 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 (1 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-20200148541-A1 AN APPROACH TO A BOTTOM-UP SYNTHESIS OF NANOCARBONS TYMS, NCL, PFAS CYP1A2 711/4885CYP2A6 1259/4885TSHR 4781/4885

“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.