SCHEMBL3708778

SCHEMBL3708778

CC1CCC2CCCCC12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NOS1 P29475 4/20 0.31
NOS3 P29474 3/20 0.31
NOS2 P35228 3/20 0.31

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
SCHEMBL17800108 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1NOS1
SCHEMBL7269126 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1NOS1
SCHEMBL7269122 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1NOS1
SCHEMBL6592044 0.94
SCHEMBL6240345 0.91 CA1 (0.48) CA1CA2CA4ALDH1A1NOS1
SCHEMBL23952890 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1NOS1
SCHEMBL6250904 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1NOS1
SCHEMBL3318924 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1NOS1
SCHEMBL6894837 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1NOS1
SCHEMBL7724695 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1NOS1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293551-A1 USE OF ST-TYPE LIPID COMPOUNDS IN PREPARATION OF NUCLEIC ACID DELIVERY REAGENT AND RELATED PRODUCT BEIJING BAISHIHEKANG PHARMACEUTICAL TECHNOLOGY (BSJPHARMA) CO., LTD (CN) 2024-09-05 US disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
EP-2459603-B1 POLYMERIZATION PROCESS USING A SUPPORTED CONSTRAINED GEOMETRY CATALYST UNIVATION TECH LLC (US) 2014-07-02 EP disclosed
WO-2010094810-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS N.V. ORGANON (NL) 2010-08-26 WO disclosed
WO-2009023201-A1 RIGID DERIVATIVES OF TRIPTOLIDE AS ANTICANCER, IMMUNE SUPPRESSANT, ANTI-FIBROSIS, AND CNS PROTECTANT AGENTS MYELORX LLC (US) 2009-02-19 WO disclosed
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6538145-B2 Having a hydroxy group at 24-position and, optionally, a substituent at 2 beta position; reacting intermediates of the A ring part and intermediates of the C ring; cyclization; coupling; control of calcium metabolism; antitumor agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-25 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
EP-0089815-B1 LIQUID PERFLUOROCARBONS, FOR USE IN OCULAR THERAPY, AND PREPARATIONS CONTAINING THEM Haidt, Sterling Joel (US) 1986-12-17 EP disclosed
EP-0089232-B1 PERFLUOROCARBON LIQUIDS USEFUL IN EYE TREATMENT AND DIAGNOSTIC PROCEDURES CHILDREN'S HOSPITAL MEDICAL CENTER (US) 1986-07-02 EP disclosed
US-4289499-A BY DETERMINATION OF CRITICAL SOLUTION TEMPERATURE CHILDRENS HOSPITAL MEDICAL CENTER (US) 1981-09-15 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CA1 3025/4885CA2 2948/4885CA4 2578/4885
US-20240293551-A1 USE OF ST-TYPE LIPID COMPOUNDS IN PREPARATION OF NUCLEIC ACID DELIVERY REAGENT AND RELATED PRODUCT POLRMT, LIPC, POLM CA1 4546/4885CA2 3345/4885CA4 2625/4885

“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.