SCHEMBL17845183

SCHEMBL17845183

COc1ccc(-c2cc(-c3ccccc3Cl)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
BACE1 P56817 1/20 0.44
CYP1A2 P05177 2/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PIK3CD O00329 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CTSA P10619 1/20 0.40
MITF O75030 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
SCHEMBL28504251 0.81 RAB9A (0.55) APPBACE1ABL1ABCB1BCR
SCHEMBL28501590 0.81 RAB9A (0.55) APPBACE1ABL1ABCB1BCR
SCHEMBL2720575 0.75 NPC1 (0.68) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL5681041 0.75 ABL1 (0.60) APPBACE1ABL1ABCB1BCR
SCHEMBL20320502 0.71 APP (0.52) APPABL1ABCB1BCRNPC1
SCHEMBL17845095 0.70 HSP90AA1 (0.43) APPBACE1ABL1ABCB1BCR
SCHEMBL28514744 0.68 HTR7 (0.41) BACE1CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL7579760 0.67 CASR (0.58) CYP1A2CYP3A4CYP2C19ALDH1A1MAOB
SCHEMBL1679371 0.67 ABL1 (0.50) APPBACE1ABL1ABCB1BCR
SCHEMBL27909626 0.67 CCR1 (0.61) CYP1A2CYP3A4CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO 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 (2 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 APP 1145/4885BACE1 519/4885CYP1A2 161/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 APP 1145/4885BACE1 519/4885CYP1A2 161/4885

“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.