SCHEMBL19163469

SCHEMBL19163469

CN(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.45
▸ TNKS O95271 2/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ TOP2A P11388 1/20 0.40

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
SCHEMBL25612247 0.94 MMP12 (0.45) AHRTNKSMEN1KMT2AMAPT
SCHEMBL14342106 0.92 AHR (0.49) AHRTNKSMEN1KMT2AMAPT
SCHEMBL22312909 0.91 AHR (0.42) AHRTNKSMEN1KMT2AMAPT
SCHEMBL17987954 0.91 NPC1 (0.45) AHRTNKSMEN1KMT2AMAPT
SCHEMBL23108697 0.90 AHR (0.53) AHRTNKSMEN1KMT2AMAPT
SCHEMBL17853268 0.88 PLA2G2A (0.49) AHRTNKSMEN1KMT2AMAPT
SCHEMBL22312905 0.87 TNKS (0.40) AHRTNKSMEN1KMT2AMAPT
SCHEMBL26568520 0.86 TNKS (0.37) AHRTNKSMEN1KMT2AMAPT
SCHEMBL20733886 0.84 PLA2G2A (0.46) AHRTNKSMEN1KMT2AMAPT
SCHEMBL21128843 0.84 AHR (0.47) AHRTNKSMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213971-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213971-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — US disclosed
US-20170213972-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 — — 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-20170213972-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 AHR 789/4885TNKS 3620/4885MEN1 346/4885
US-20170213970-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 AHR 919/4885TNKS 3771/4885MEN1 251/4885
US-20170213971-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 AHR 919/4885TNKS 3771/4885MEN1 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.

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