SCHEMBL665537

SCHEMBL665537

C=CCC1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
FAAH O00519 1/20 0.32
CES2 O00748 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL2594870 0.90 ALDH1A1 (0.43) ALDH1A1PRSS1CTRCF2FAAH
SCHEMBL7174440 0.88 ALDH1A1 (0.42) ALDH1A1PRSS1CTRCF2FAAH
SCHEMBL11431438 0.77 ALDH1A1 (0.41) ALDH1A1PRSS1CTRCF2NOS3
SCHEMBL7926747 0.75 HTR2A (0.49) ALDH1A1KMT2A
SCHEMBL22790519 0.75 ALDH1A1 (0.52) ALDH1A1PRSS1CTRCF2FAAH
SCHEMBL11428195 0.72 ALDH1A1 (0.37) ALDH1A1FAAHMAPT
SCHEMBL9436209 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8627491 0.70 FAAH (0.35) ALDH1A1PRSS1CTRCF2FAAH
SCHEMBL19302160 0.70
SCHEMBL3259636 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338466-A PRECURSORS FOR OLIGOMERS EXHIBITING PROTECTION FOR OXIDATIVE PHOSPHORYLATION OF DEGENERATED MITOCHONDRIA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-07-06 US claimed
US-3962291-A TOTAL SYNTHESIS OF 11-ALKYL STEROIDS G. D. SEARLE & CO. (US) 1976-06-08 US claimed
EP-2803358-B1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN INC (US) 2017-05-03 EP disclosed
US-9637467-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 US disclosed
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. 2016-04-07 US disclosed
US-9156810-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2015-10-13 US disclosed
US-9005605-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-04-14 US disclosed
US-8926963-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-01-06 US disclosed
EP-2814510-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2014-12-24 EP disclosed
EP-2814482-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2014-12-24 EP disclosed
US-3984473-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed
US-3979458-A Production of unsaturated carbocyclic ketones SYNTEX CORPORATION (PM) 1976-09-07 US disclosed
US-3965138-A Steroid total synthesis process utilizing a cyanoalkyl A-ring precursor HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3965117-A Stereospecific total steroidal synthesis via substituted c/d-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-06-22 US disclosed
US-3962291-A TOTAL SYNTHESIS OF 11-ALKYL STEROIDS G. D. SEARLE & CO. (US) 1976-06-08 US disclosed
US-3950389-A Stereospecific total steroidal synthesis via substituted C/D-trans indanones HOFFMANN-LA ROCHE INC. (US) 1976-04-13 US disclosed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, LTB4R2 ALDH1A1 1092/4885PRSS1 1853/4885CTRC 2978/4885

“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.