SCHEMBL63046

SCHEMBL63046

Cc1c(CN)cc(CN)cc1CN

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SPIN1 Q9Y657 1/20 0.33
PNMT P11086 1/20 0.31
ENPP2 Q13822 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
ABAT P80404 1/20 0.31
LOX P28300 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
SCHEMBL21277499 0.87 SHBG (0.33) SPIN1
SCHEMBL21277480 0.85 ALDH1A1 (0.37) LOXL2
SCHEMBL11436471 0.78 ALDH1A1 (0.43) LOXL2
SCHEMBL3673507 0.76 CYP2A6 (0.35)
SCHEMBL3667293 0.76 PNMT (0.37) PNMT
SCHEMBL3676581 0.76 MPO (0.35) LOXL2
SCHEMBL10873594 0.75 ALDH1A1 (0.39) LOXL2
SCHEMBL9370555 0.74 LOXL2 (0.39) LOXL2HRH3SPIN1PNMTENPP2
SCHEMBL91292 0.74 LOXL2 (0.35) LOXL2HRH3PNMTENPP2ST14
SCHEMBL17426912 0.74 SHBG (0.53) ENPP2ABAT

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
EP-3795561-B1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2024-11-06 EP disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
EP-3795561-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-03-24 EP disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
EP-3626705-A1 ISOCYANATE PRODUCTION METHOD Asahi Kasei Kabushiki Kaisha (JP) 2020-03-25 EP disclosed
US-20190225739-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-25 US disclosed
EP-2330159-B1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE ASAHI GLASS CO LTD (JP) 2013-04-24 EP disclosed
US-8129869-B2 Electret and electrostatic induction conversion device ASAHI GLASS COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20110166299-A1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE ASAHI GLASS COMPANY, LIMITED 2011-07-07 US disclosed
EP-2330159-A1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE Asahi Glass Company Limited (JP) 2011-06-08 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 (5 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 LOXL2 4326/4885HRH3 505/4885SPIN1 3217/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B LOXL2 4033/4885HRH3 1709/4885SPIN1 3907/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 LOXL2 4245/4885HRH3 3088/4885SPIN1 4550/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 LOXL2 4326/4885HRH3 505/4885SPIN1 3217/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 LOXL2 4245/4885HRH3 3088/4885SPIN1 4550/4885

“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.