SCHEMBL686971

SCHEMBL686971

CCCCCCC(O)C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
SPHK1 Q9NYA1 2/20 0.45
FFAR1 O14842 2/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
HMGCR P04035 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL8845886 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL8179839 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7561421 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL11116040 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL5353586 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL15153587 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7614472 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL5353579 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL686346 0.98
SCHEMBL7699865 0.98

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
US-5326702-A Hydrolysis of the nitrile NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-07-05 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP 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
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
US-8822716-B2 Intermediate of cilastatin and preparation method thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD (CN) 2014-09-02 US disclosed
EP-1730177-B1 CYANIDE TOLERANT NITRILHYDRATASES EVONIK DEGUSSA GMBH (DE) 2012-02-29 EP disclosed
US-20110319653-A1 Intermediate of Cilastatin and Preparation Method Thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD (CN) 2011-12-29 US disclosed
US-7943359-B2 Polynucleotides which code for cyanide-tolerant nitrile hydratase and compositions thereof EVONIK DEGUSSA GMBH (DE) 2011-05-17 US disclosed
US-20100261250-A1 Cyanide-Tolerant Nitrile Hydratases OSSWALD STEFFEN 2010-10-14 US disclosed
EP-1308518-B2 Method of producing carboxylic acids DAICEL CHEM (JP) 2010-09-22 EP disclosed
US-5288682-A Catalyst for asymmetric induction SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-22 US disclosed
EP-0561637-A2 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-22 EP disclosed
EP-0505089-A1 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-23 EP disclosed
EP-0486289-A2 Biological process for producing alpha-hydroxyamide or alpha-hydroxy acid NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-20 EP disclosed
US-4594099-A Herbicide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-06-10 US disclosed
US-4511562-A (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents BAYER AKTIENGESELLSCHAFT (DE) 1985-04-16 US disclosed
US-4486600-A Process for the production of β-hydroxy-α-aminocarboxylic acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
US-4482760-A HYDROGENATING A CYANOHYDRIN DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
EP-0072482-A2 (Thiono)(dithio)-phosphoric-(phosphonic)-acid esters, process for their preparation and their use as pesticides BAYER AG (DE) 1983-02-23 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 (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-20100261250-A1 Cyanide-Tolerant Nitrile Hydratases NANS, CPS1, ASNS GPR84 3853/4885SPHK1 4373/4885FFAR1 2765/4885
US-20110319653-A1 Intermediate of Cilastatin and Preparation Method Thereof CYP8B1, DHCR7, HMGCR GPR84 3826/4885SPHK1 1201/4885FFAR1 1611/4885

“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.