SCHEMBL3842875

SCHEMBL3842875

N#Cc1ccc(P)c(C#N)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.35
▸ PGR P06401 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ UPP1 Q16831 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ APBA1 Q02410 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL7005085 0.98 TRPV4 (0.34) TRPV4PGRARTSHR
SCHEMBL31399295 0.84 TSHR (0.39) TRPV4PGRARTSHRUPP1
SCHEMBL152358 0.84 TSHR (0.39) TRPV4PGRARTSHRUPP1
Acetonitrile SCHEMBL9498906 0.76 ALDH1A1 (0.40) TRPV4PGRARTSHRUPP1
Hexamethylbenzene SCHEMBL4271177 0.74 TSHR (0.44) PGRARTSHRSMN1; SMN2HIF1A
SCHEMBL9843268 0.72 AR (0.33) TRPV4PGRARTSHRUPP1
SCHEMBL15659464 0.71 — —
SCHEMBL20690651 0.70 AR (0.42) TRPV4PGRARTSHRUPP1
SCHEMBL7299363 0.70 UPP1 (0.34) TRPV4PGRARTSHRUPP1
SCHEMBL17570552 0.70 TSHR (0.46) PGRARTSHRSMN1; SMN2HIF1A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7556860-B2 Laminate and method of forming the same, insulating film, and semiconductor device JSR CORPORATION (JP) 2009-07-07 — — US disclosed
US-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 — — US disclosed
EP-2014636-A1 Ethynylphenylbiadamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2009-01-14 — — EP disclosed
EP-1245638-B1 Composition for insulating film formation JSR CORP (JP) 2009-01-14 — — EP disclosed
EP-1188807-B1 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORP (JP) 2007-10-17 — — EP disclosed
EP-1099719-B1 Diyne-containing (co) polymer, processes for producing the same, and cured film JSR CORP (JP) 2007-01-17 — — EP disclosed
EP-1298176-B1 Stacked film insulating film and substrate for semiconductor JSR CORP (JP) 2007-01-03 — — EP disclosed
US-7153767-B2 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORPORATION (JP) 2006-12-26 — — US disclosed
US-20060216531-A1 Laminate and method of forming the same, insulating film, and semiconductor device JSR CORPORATION (JP) 2006-09-28 — — US disclosed
US-20060210812-A1 Insulating film and method of forming the same JSR CORPORATION (JP) 2006-09-21 — — US disclosed
US-20020172652-A1 Composition for film formation and material for insulating film formation JSR CORPORATION (JP) 2002-11-21 — — US disclosed
EP-1254917-A1 Polymer comprising acetylene repeating units, process for the production, composition for film formation containing the same, method of film formation and insulating film JSR Corporation (JP) 2002-11-06 — — EP disclosed
US-20020161173-A1 Polymer, process for production, composition for film formation containing the same, method of film formation, and insulating film JSR CORPORATION (JP) 2002-10-31 — — US disclosed
EP-1245638-A1 Composition for insulating film formation JSR Corporation (JP) 2002-10-02 — — EP disclosed
US-20020064953-A1 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORPORATION (JP) 2002-05-30 — — US disclosed
EP-1188807-A2 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR Corporation (JP) 2002-03-20 — — EP disclosed
EP-1099719-A1 Diyne-containing (co) polymer, processes for producing the same, and cured film JSR Corporation (JP) 2001-05-16 — — EP disclosed
US-4528404-A High temperature hydroformylation in the presence of triarylphosphine rhodium carbonyl hydride complex catalyst systems EXXON RESEARCH AND ENGINEERING CO. (US) 1985-07-09 — — US disclosed
EP-0139702-A1 HIGH TEMPERATURE HYDROFORMYLATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-05-08 — — EP disclosed
WO-1984003697-A1 HIGH TEMPERATURE HYDROFORMYLATION EXXON RESEARCH ENGINEERING CO (US) 1984-09-27 — — 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-20090030248-A1 Ethynylphenylbiadamantane derivatives CHRNA5, CHRNE, ADRA1D TRPV4 2990/4885PGR 1708/4885AR 909/4885
US-20020172652-A1 Composition for film formation and material for insulating film formation VCL, BMI1, PUF60 TRPV4 2832/4885PGR 631/4885AR 2571/4885

“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.

Send feedback