SCHEMBL17356265

SCHEMBL17356265

CSc1cc2ccccc2cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 3/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NQO1 P15559 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NQO2 P16083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR2 P41597 1/20 0.31
ALOX12 P18054 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
SCHEMBL23957896 0.83 CYP2A6 (0.42) CYP2A6TDP1ALDH1A1CYP1A2ADORA2A
SCHEMBL1955363 0.78 ALDH1A1 (0.42) CYP2A6TDP1ALDH1A1CYP1A2ADORA2A
SCHEMBL11460233 0.77 CYP2A6 (0.39) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL15780495 0.74 CYP2A6 (0.41) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL14800228 0.74 CYP2A6 (0.47) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL30548751 0.74 CYP2A6 (0.47) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL13892881 0.73 IDO1 (0.41) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL26747749 0.73 CYP2A6 (0.34) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL14762165 0.73 GAA (0.45) CYP2A6TDP1ALDH1A1MEN1KMT2A
SCHEMBL3560216 0.71 ALDH1A1 (0.36) CYP2A6TDP1ALDH1A1CYP1A2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135605-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-05-05 US disclosed
US-10403828-B2 Organic compound, and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-09-03 US disclosed
US-9985222-B2 Organic compound, and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-29 US disclosed
US-9985222-B2 Organic compound, and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-29 US disclosed
US-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 US disclosed
US-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 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-10403828-B2 Organic compound, and organic thin film and electronic device OCIAD1, POU2F1, SLCO2A1 CYP2A6 519/4885TDP1 882/4885ALDH1A1 386/4885
US-20150372241-A1 ORGANIC COMPOUND, AND ORGANIC THIN FILM AND ELECTRONIC DEVICE OCIAD1, POU2F1, SLCO2A1 CYP2A6 519/4885TDP1 882/4885ALDH1A1 386/4885
US-20220135605-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, TRPA1 CYP2A6 3406/4885TDP1 2494/4885ALDH1A1 202/4885

“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.