SCHEMBL14506989

SCHEMBL14506989

Brc1ccc(N(c2ccc(N(c3ccc(Br)cc3)c3ccc4c(c3)CC4)cc2)c2ccc3c(c2)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.37
▸ MELK Q14680 1/20 0.36
▸ HSD17B3 P37058 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ADCY8 P40145 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ SRD5A1 P18405 1/20 0.30
▸ SRD5A2 P31213 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL17841776 1.00 PNMT (0.37) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL2607597 1.00 PNMT (0.37) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL17961923 0.93 ALDH1A1 (0.39) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL14226932 0.91 ALDH1A1 (0.45) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL20320243 0.86 TDP2 (0.39) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL26429213 0.83 CYP11B1 (0.36) PNMTASIC3MELKHSD17B3ALDH1A1
SCHEMBL20709042 0.82 HSD17B3 (0.31) MELKHSD17B3TDP1L3MBTL1
SCHEMBL14506990 0.81 ALDH1A1 (0.46) ALDH1A1GAAKMT2ATDP1L3MBTL1
SCHEMBL17841771 0.81 ALDH1A1 (0.46) ALDH1A1GAAKMT2ATDP1L3MBTL1
SCHEMBL11898477 0.81 ALDH1A1 (0.46) ALDH1A1GAAKMT2ATDP1L3MBTL1

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-9399702-B2 Crosslinkable arylamine compounds and conjugated oligomers or polymers based thereon SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-26 — — US disclosed
US-9399702-B2 Crosslinkable arylamine compounds and conjugated oligomers or polymers based thereon SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-26 — — US disclosed
US-20070096082-A1 Crosslinkable arylamine compounds and conjugated oligomers or polymers based thereon DOW GLOBAL TECHNOLOGIES INC. 2007-05-03 — — US disclosed
US-20070096082-A1 Crosslinkable arylamine compounds and conjugated oligomers or polymers based thereon DOW GLOBAL TECHNOLOGIES INC. 2007-05-03 — — 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 (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-20070096082-A1 Crosslinkable arylamine compounds and conjugated oligomers or polymers based thereon PNMT, AHR, TYR PNMT 1/4885ASIC3 3164/4885MELK 1257/4885

“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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