SCHEMBL5214499

SCHEMBL5214499

Cc1ccc2cc1-2.OBO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
RARA P10276 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MCL1 Q07820 1/20 0.36
ABL1 P00519 3/20 0.35
ESRRA P11474 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
Phosphine SCHEMBL29266084 0.86
Ammonia Solution, Strong SCHEMBL4591355 0.86
Iodide SCHEMBL27841836 0.86
SCHEMBL27718887 0.80 RXRA (0.41) RXRARARAGRIK1GRIA1GRIA2
SCHEMBL2350935 0.79 ESR2 (0.52) ESR1ESR2MCL1ALDH1A1CYP3A4
SCHEMBL20147811 0.77 ESR2 (0.50) ESR1ESR2ABL1ESRRAGAA
Toluene SCHEMBL7271060 0.75 ACHE (0.52) RXRARARAGRIK1GRIA1GRIA2
SCHEMBL4011227 0.75 RXRA (0.37) RXRARARAGRIK1GRIA1GRIA2
SCHEMBL3669243 0.73 ESR1 (0.50) ESR1ESR2ABL1ESRRAGAA
SCHEMBL3781710 0.73 GAA (0.34) RXRAALDH1A1MAPTMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417753-B Synthesis method of melitracen and intermediate thereof 重庆西南制药二厂有限责任公司 2024-01-30 CN disclosed
CN-106631751-B More two fluorine monomers of methyl chains of anti-oxidative and preparation method thereof 陕西师范大学 2019-12-03 CN disclosed
CN-106631751-A Anti-oxidation type multi-methyl side-chain difluoro monomer and preparation method of monomer 陕西师范大学 2017-05-10 CN disclosed
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 RXRA 120/4885RARA 373/4885GRIK1 436/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 RXRA 120/4885RARA 373/4885GRIK1 436/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 RXRA 120/4885RARA 373/4885GRIK1 436/4885

“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.