SCHEMBL5353586

SCHEMBL5353586

CCCCCCCCC(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
SCHEMBL15153587 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7614472 1.00 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL686971 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 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
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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
WO-2007093765-A1 PROCESS FOR THE CYANATION OF ALDEHYDES NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2007-08-23 WO disclosed
EP-0807120-B1 RUTHENIUM HYDROGENATION CATALYSTS DU PONT (US) 2000-04-26 EP disclosed
EP-0807098-B1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES DU PONT (US) 1998-09-09 EP disclosed
US-5741955-A TRANSITION METAL COMPLEX CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-21 US disclosed
EP-0807098-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-19 EP disclosed
EP-0807120-A1 RUTHENIUM HYDROGENATION CATALYSTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-19 EP disclosed
US-5689003-A CATALYTIC HYDROGENATION OF NITRILES TO FORM AMINES WITH COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US disclosed
US-5554778-A IMINATION, REDUCTIVE HYDROLYSIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-10 US disclosed
WO-1996023753-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 WO disclosed
WO-1996023803-A1 RUTHENIUM HYDROGENATION CATALYSTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 WO disclosed
US-4904812-A Preparation of unsaturated nitriles BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4085275-A Production of di-unsaturated carboxylic acids MONSANTO COMPANY (US) 1978-04-18 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 (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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GPR84 3979/4885SPHK1 2282/4885FFAR1 4119/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GPR84 3979/4885SPHK1 2282/4885FFAR1 4119/4885

“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.