SCHEMBL2615530

SCHEMBL2615530

CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(C)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.90
▸ ESR2 Q92731 6/20 0.90
▸ MAPT P10636 3/20 0.90
▸ ESRRG P62508 3/20 0.90
▸ MEN1 O00255 3/20 0.90
▸ TP53 P04637 3/20 0.90
▸ CYP3A4 P08684 3/20 0.90
▸ KMT2A Q03164 3/20 0.90
▸ PGR P06401 2/20 0.90
▸ CYP1A2 P05177 2/20 0.90
▸ CYP2D6 P10635 2/20 0.90
▸ HTR6 P50406 2/20 0.90
▸ NPC1 O15118 1/20 0.90
▸ NR1I2 O75469 1/20 0.90
▸ PRKD3 O94806 1/20 0.90
▸ ABCB11 O95342 1/20 0.90
▸ EGFR P00533 1/20 0.90
▸ GBA1 P04062 1/20 0.90
▸ NR3C1 P04150 1/20 0.90
▸ ERBB2 P04626 1/20 0.90

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
SCHEMBL5320201 1.00 ESR1 (0.90) ESR1ESR2MAPTESRRGMEN1
SCHEMBL16575061 1.00 ESR1 (0.90) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL4084 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
SCHEMBL29659348 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL119181 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL17262111 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL17262082 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL1056785 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL4085 0.95 ESR1 (1.00) ESR1ESR2MAPTESRRGMEN1
Tamoxifen SCHEMBL17629803 0.93 ESR1 (0.97) ESR1ESR2MAPTESRRGMEN1

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — US disclosed
US-20080227814-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-18 — — 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 (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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS ESR1 2156/4885ESR2 1173/4885MAPT 3107/4885
US-20080227814-A1 Selective Estrogen Receptor Modulators GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885MAPT 4621/4885

“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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