SCHEMBL2939704

SCHEMBL2939704

N#CCCC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC3 Q16853 5/20 0.44
BCAT2 O15382 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL11378052 0.92 RIPK1 (0.50) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL4755511 0.80 HRH1 (0.50) TSHRLMNATRPA1
SCHEMBL3081755 0.79 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5185803 0.79 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2496078 0.79 RIPK1 (0.50) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL27692795 0.79 RIPK1 (0.50) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL1546683 0.78 TSHR (0.52) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL1546681 0.78 TSHR (0.52) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL2349389 0.78 TSHR (0.52) RIPK1TSHRLMNAKDM4EL3MBTL1
SCHEMBL29211109 0.78 RIPK1 (0.48) RIPK1TSHRLMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
US-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-07-08 US disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed
EP-1308518-B2 Method of producing carboxylic acids DAICEL CHEM (JP) 2010-09-22 EP disclosed
CN-1260345-C Novel microorganisms and process for producing DAICEL CHEM (JP) 2006-06-21 CN disclosed
EP-1609869-A2 Method of producing carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-12-28 EP disclosed
EP-1308518-B1 Method of producing carboxylic acids DAICEL CHEM (JP) 2005-12-14 EP disclosed
CN-1590358-A Process for preparing calcium carboxylate SOLUTIA INC (US) 2005-03-09 CN disclosed
EP-1510513-A1 Process for producing a calcium carboxylate Solutia Inc. (US) 2005-03-02 EP disclosed
EP-0731079-B1 Process for producing a carboxylic acid DAICEL CHEM (JP) 2000-06-14 EP disclosed
US-5932454-A USING STRAIN OF MICROORGANISM OR PREPARATION WHICH HYDRATES NITRILE TO AMIDE, THEN HYDROLYZED IN PRESENCE OF BASE TO CARBOXYLIC ACID SALT; OR ELECTRODIALYSIS OF SALT TO CARBOXYLIC ACID; BY-PRODUCT INHIBITION; REUSE REAGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0852261-A2 Method of producing carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-08 EP disclosed
CN-1186061-A Method of producing carboxylic acids DAICEL CHEM (JP) 1998-07-01 CN disclosed
US-5763652-A Process for producing a carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed
CN-1138020-A Process for producing carboxylic acid DAICEL CHEM (JP) 1996-12-18 CN disclosed
EP-0731079-A2 Process for producing a carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-11 EP disclosed
EP-0403884-A2 Dibrompropanol derivatives, process for their preparation and their use BAYER AG (DE) 1990-12-27 EP disclosed
US-4617296-A 3-O-acylated derivatives of (+)-cyanidan-3-ol CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed
US-4255336-A Process for the preparation of O-substituted derivatives of (+)-cyanidan-3-01 CIBA-GEIGY CORPORATION (US) 1981-03-10 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 (1 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-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups CBR3, CBR1, CNOT9 RIPK1 3372/4885TSHR 75/4885LMNA 4542/4885

“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.