SCHEMBL6871525

SCHEMBL6871525

COCOc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.36
▸ FYN P06241 3/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32

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
SCHEMBL21715141 0.87 FYN (0.37) FYNGABRA1GABRG2GABRB3GABRA5
SCHEMBL13170580 0.84 APP (0.48) APPMCHR1MMP2MMP3MMP9
SCHEMBL3644441 0.81 NQO1 (0.56) NQO1ACACB
SCHEMBL673162 0.80 APP (0.55) APPMCHR1GRM5KCNH2ACACB
SCHEMBL21715143 0.80 APP (0.41) APPFYNMCHR1MMP2MMP3
SCHEMBL14653304 0.80 APP (0.46) APPACACB
SCHEMBL714294 0.79 APP (0.59) APPMCHR1GRM5KCNH2ACACB
SCHEMBL12179764 0.78 GRM5 (0.44) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3846192 0.78 GRM5 (0.39) APPGABRA1GABRG2GABRB3GABRA5
SCHEMBL4058110 0.78 LTA4H (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277169-A1 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES BIONOVO, INC. (US) 2012-11-01 — — US disclosed
WO-2010053600-A2 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES BIONOVO, INC. (US) 2010-05-14 — — WO disclosed
US-20090312274-A1 Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases BIONOVO, INC. (US) 2009-12-17 — — US disclosed
US-6818666-B2 FOR EXAMPLE, METHYL 4-(5,5,8,8,-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2 -NAPHTHYLSULPHANYLETHYNYL)BENZOATE; USE IN HUMAN OR VETERINARY MEDICINE OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2004-11-16 — — US disclosed
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 — — US disclosed
US-6441010-B2 USEFUL AS COSMETIC FOR HAIR AND BODY HYGIENE, AND FOR TREATMENT OF DERMATOLOGICAL COMPLAINTS, WITH AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT OF RHEUMATIC OR RESPIRATORY TYPE, CARDIVASCULAR AND OPTHALMOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-08-27 — — US disclosed
EP-0952975-B1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-07-10 — — EP disclosed
US-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them GALDERAMA RESEARCH & DEVELOPMENT. 2001-12-27 — — US disclosed
US-6201019-B1 ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-03-13 — — US disclosed
EP-0952975-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 — — EP disclosed
WO-1999010322-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 — — WO disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 — — US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 — — EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 — — EP 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 (4 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-20090312274-A1 Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases ESR2, ESR1, ESRRA APP 3260/4885FYN 1098/4885MCHR1 348/4885
US-20120277169-A1 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES ESR2, ESR1, ESRRA APP 3260/4885FYN 1098/4885MCHR1 348/4885
US-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them TYR, KRT18, SCO2 APP 2303/4885FYN 797/4885MCHR1 468/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 APP 2556/4885FYN 2181/4885MCHR1 593/4885

“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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