SCHEMBL286723

SCHEMBL286723

CCC(C(=O)Cl)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.35
MME P08473 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA14 Q9ULX7 2/20 0.32
PTPRB P23467 1/20 0.32
MIF P14174 1/20 0.32
CA12 O43570 2/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL2097237 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2ZDHHC7MME
SCHEMBL11665740 0.82 CA1 (0.44) SMN1; SMN2CA1CA2ZDHHC7MME
SCHEMBL2779128 0.81 ALDH1A1 (0.42) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL3883424 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2ZDHHC7MME
SCHEMBL11347511 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2ZDHHC7MME
SCHEMBL69910 0.79
SCHEMBL11482438 0.79 CA2 (0.55) CA1CA2ZDHHC7ALDH1A1TSHR
SCHEMBL222338 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CA1CA2ZDHHC7MME
SCHEMBL29057718 0.77 TSHR (0.37) TSHR
SCHEMBL2564479 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2ZDHHC7MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851494-B Preparation method of 1-pyrene butyric acid 苏州昊帆生物股份有限公司 2023-08-15 CN claimed
CN-112851494-A Preparation method of 1-pyrenebutyric acid 苏州昊帆生物股份有限公司 2021-05-28 CN claimed
CN-112851494-B Preparation method of 1-pyrene butyric acid 苏州昊帆生物股份有限公司 2023-08-15 CN disclosed
CN-112851494-A Preparation method of 1-pyrenebutyric acid 苏州昊帆生物股份有限公司 2021-05-28 CN disclosed
EP-2427430-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS The Royal Institution for the Advancement of Learning / McGill University (CA) 2012-03-14 EP disclosed
WO-2010127452-A1 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-11-11 WO disclosed
WO-2010091226-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2008-09-04 US disclosed
US-7375252-B2 Compounds and method for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. (US) 2008-05-20 US disclosed
US-7189870-B2 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENIC, INC. (US) 2007-03-13 US disclosed
EP-1726582-A2 Compounds and methods for the inhibition of the expression of vcam-1 Atherogenics, Inc. (US) 2006-11-29 EP disclosed
EP-0652208-B1 Phenylalkan(en)oic acids with leukotriene B4 antagonistic activity ONO PHARMACEUTICAL CO (JP) 1998-01-14 EP disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0652208-A1 Phenylalkan(en)oic acids with leukotriene B4 antagonistic activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-05-10 EP disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4123610-A Nucleic acid crosslinking agent and affinity inactivation of nucleic acids therewith THE UNITED STATES GOVERNMENT (US) 1978-10-31 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-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 VCAM1, ICAM1, SELL SMN1; SMN2 3786/4885CA1 2976/4885CA2 3324/4885

“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.