SCHEMBL745693

SCHEMBL745693

C=C(C(=O)O)n1cccc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.31
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
CASP6 P55212 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL29280264 0.80 FBP1 (0.32) FBP1
SCHEMBL29712319 0.76 TDP1 (0.35)
SCHEMBL11201007 0.71 FBP1 (0.33) FBP1
SCHEMBL28715877 0.69
SCHEMBL6343793 0.69 TBXAS1 (0.41)
Ammonia Solution, Strong SCHEMBL4273820 0.67
SCHEMBL17178422 0.67
SCHEMBL21546027 0.67
Hydrochloric Acid SCHEMBL27938729 0.67
SCHEMBL28125024 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086562-A2 METHODS FOR TREATING OR PREVENTING NEUROENDOCRINE TUMOR FORMATION USING XPO1 INHIBITORS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-04-25 WO claimed
CN-109312247-A Mercaptopyrrole Derivatives as Lubricant Additives 路博润公司 2019-02-05 CN claimed
US-10167501-B2 Methods and apparatus for quantification of nucleic acid amplification by monitoring impedances AUCKLAND UNISERVICES LIMITED (NZ) 2019-01-01 US claimed
WO-2018140478-A1 VIRAL RESISTANT CELLS AND CULTURE SYSTEMS SIGMA-ALDRICH CO. LLC (US) 2018-08-02 WO claimed
CN-108200770-A Pyrrole derivatives as lubricant additives 路博润公司 2018-06-22 CN claimed
CN-108138070-A Pyrrole derivatives as lubricant additives 路博润公司 2018-06-08 CN claimed
US-20160046977-A1 Methods and Apparatus for Amplifying Nucleic Acids AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-18 US claimed
US-20140086977-A1 TIGHT JUNCTIONS MODULATORS THE UNIVERSITY OF MANCHESTER (GB) 2014-03-27 US claimed
EP-2691090-A2 TIGHT JUNCTIONS MODULATORS The University Of Manchester (GB) 2014-02-05 EP claimed
WO-2012131341-A2 TIGHT JUNCTIONS MODULATORS THE UNIVERSITY OF MANCHESTER (GB) 2012-10-04 WO claimed
EP-0802782-B1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL MYERS SQUIBB CO (US) 2003-02-05 EP claimed
US-5995869-A Reduction of skin sensitization in electrotransport drug delivery ALZA CORPORATION (US) 1999-11-30 US claimed
US-5912010-A ADMINISTERING LOOP DIURETIC ALONE OR WITH MAST CELL DEGRANULATOR OR GLUCOCORTICOSTEROID E.R. SQUIBB & SONS, INC. (US) 1999-06-15 US claimed
US-5843979-A Transdermal treatment with mast cell degranulating agents for drug-induced hypersensitivity BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-01 US claimed
EP-0802782-A4 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL MYERS SQUIBB CO (US) 1998-04-01 EP claimed
WO-1997047355-A1 REDUCTION OF SKIN SENSITIZATION IN ELECTROTRANSPORT DRUG DELIVERY ALZA CORPORATION (US) 1997-12-18 WO claimed
US-5686100-A Prophylactic and therapeutic treatment of skin sensitization and irritation E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US claimed
EP-0802782-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-29 EP claimed
WO-1996015771-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-30 WO claimed
EP-0612525-A1 Transdermal treatment with mast cell degranulating agents for drug-induced hypersensitivity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-08-31 EP claimed

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-20140086977-A1 TIGHT JUNCTIONS MODULATORS DSG1, KRT18, STOM FBP1 2748/4885NSD2 4447/4885POLB 4850/4885

“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.