SCHEMBL2397529

SCHEMBL2397529

OCc1c2ccccc2cc2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2A6 P11509 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CHEK1 O14757 1/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL38663944 0.91 MAPT (0.39) L3MBTL1CYP2A6MEN1KMT2ARXFP1
SCHEMBL59671 0.84 HTR2A (0.60) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL29367221 0.84 HTR2A (0.60) HTR2AL3MBTL1MEN1KMT2AHSD17B10
Methane SCHEMBL27842569 0.82 HTR2A (0.58) HTR2AL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL31514754 0.81 KMT2A (0.42) L3MBTL1CYP2A6MEN1KMT2ARXFP1
SCHEMBL20312981 0.81 KMT2A (0.42) L3MBTL1CYP2A6MEN1KMT2ARXFP1
Ethane SCHEMBL1070226 0.81 HTR2A (0.56) HTR2AL3MBTL1CYP2A6MEN1KMT2A
SCHEMBL7938136 0.80 HTR2A (0.47) HTR2AL3MBTL1MEN1KMT2AHSD17B10
Alcohol SCHEMBL2553967 0.79 HTR2A (0.54) HTR2AL3MBTL1CYP2A6MEN1KMT2A
SCHEMBL7938117 0.79 HTR2A (0.50) HTR2AL3MBTL1MEN1KMT2AHSD17B10

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-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
EP-2368875-B1 PHOTOBASE GENERATOR WAKO PURE CHEM IND LTD (JP) 2014-09-03 EP disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 EP disclosed
US-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 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-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 HTR2A 2751/4885L3MBTL1 1903/4885CYP2A6 1305/4885

“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.