SCHEMBL11895545

SCHEMBL11895545

COc1ccc(C2=C(C)C(=O)O[C@H]2c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.44
EDNRA P25101 1/20 0.42
BACE1 P56817 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAOB P27338 2/20 0.41
CYP19A1 P11511 1/20 0.40
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.40
PTGS2 P35354 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL11894720 1.00 MAPT (0.44) MAPTNPSR1ALDH1A1EDNRABACE1
SCHEMBL11894735 0.86 ALDH1A1 (0.46) MAPTNPSR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11895442 0.86 ALDH1A1 (0.46) MAPTNPSR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11954841 0.84 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27426774 0.78 TAAR1 (0.43) MAPTALDH1A1BACE1NPC1RAB9A
SCHEMBL11954845 0.78 ALDH1A1 (0.38) MAPTNPSR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL11895543 0.77 NR3C1 (0.47) MAPTNPSR1ALDH1A1CYP19A1ABCB1
SCHEMBL11894719 0.77 NR3C1 (0.47) MAPTNPSR1ALDH1A1CYP19A1ABCB1
SCHEMBL13726373 0.74 MAPT (0.50) MAPTNPSR1ALDH1A1EDNRANPC1
SCHEMBL17637160 0.74 ESR1 (0.54) ALDH1A1ABCB1ARABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492274-B1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE AND USE THEREOF UNIV ZHEJIANG (CN) 2016-09-21 EP disclosed
EP-2492274-B1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE AND USE THEREOF UNIV ZHEJIANG (CN) 2016-09-21 EP disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
EP-2492274-A1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE, PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2012-08-29 EP disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 MAPT 4042/4885NPSR1 4108/4885ALDH1A1 2903/4885

“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.