SCHEMBL18528809

SCHEMBL18528809

CC(C)Oc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.70
MCL1 Q07820 3/20 0.45
TLR8 Q9NR97 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MGAM O43451 1/20 0.44
ALDH1A1 P00352 4/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30421019 1.00 ALOX15 (0.70) ALOX15MCL1TLR8HTR3EHTR3B
SCHEMBL30421133 0.85 ALOX15 (0.66) ALOX15MGAMALDH1A1KDM4EHPGD
SCHEMBL297225 0.83 ALOX15 (1.00) ALOX15ALDH1A1KDM4EHPGD
SCHEMBL27342566 0.81 ALOX15 (0.61) ALOX15MGAMALDH1A1KDM4EHPGD
SCHEMBL30744749 0.81 ALOX15 (0.65) ALOX15MCL1TLR8HTR3EHTR3B
SCHEMBL16759794 0.80 ALOX15 (0.46) ALOX15MCL1ALDH1A1NR1H4KDM4E
SCHEMBL30744835 0.79 ALOX15 (0.45) ALOX15MCL1NR1H4KDM4E
SCHEMBL18528819 0.79 ALOX15 (0.70) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31389285 0.79 ALOX15 (0.70) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30420698 0.79 ALOX15 (0.80) ALOX15MGAMALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-2970256-B1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-23 EP disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 US disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 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 (4 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ALOX15 1905/4885MCL1 339/4885TLR8 3984/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB ALOX15 4164/4885MCL1 159/4885TLR8 4562/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ALOX15 4152/4885MCL1 238/4885TLR8 4610/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 ALOX15 1933/4885MCL1 319/4885TLR8 3958/4885

“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.