SCHEMBL7602263

SCHEMBL7602263

CC(C)CN(CC(C)C)c1ccc(N(c2ccc(N(CC(C)C)CC(C)C)cc2)c2ccc([N+](C)(c3ccc(N(CC(C)C)CC(C)C)cc3)c3ccc(N(CC(C)C)CC(C)C)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.33
PSMD14 O00487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2008867 0.86 ALDH1A1 (0.39) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL7604038 0.86 ALDH1A1 (0.39) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL6650498 0.86 ALDH1A1 (0.39) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL2952375 0.80 ALDH1A1 (0.50) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL7602257 0.74 CHRM2 (0.40) ALDH1A1
SCHEMBL20207411 0.74 CNR2 (0.40) ESRRGALDH1A1
SCHEMBL6650493 0.72 AOC3 (0.41) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL7605135 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL22620086 0.71 ESRRG (0.34) ESRRGPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL22821889 0.71 CYP2C19 (0.47) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 ESRRG 2238/4885PSMD14 3087/4885ALDH1A1 1150/4885

“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.