SCHEMBL18528838

SCHEMBL18528838

CC(C)c1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 1/20 0.61
MAPT P10636 1/20 0.59
PTGDR2 Q9Y5Y4 15/20 0.57
PTGDR Q13258 5/20 0.54
PTGER2 P43116 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL4271125 0.89 TDP1 (0.62) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL23434870 0.85 PTGDR (0.55) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL24886126 0.83 PTGDR2 (0.57) TDP1MAPTPTGDR2SMN1; SMN2
SCHEMBL12409209 0.82 HPGD (0.52) TDP1TSHRMAPTPTGDR2SMN1; SMN2
SCHEMBL3188075 0.81 PTGDR2 (0.61) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL4810585 0.81 GLA (0.46) TDP1TSHRMAPTPTGDR2SMN1; SMN2
SCHEMBL24885619 0.80 PTGDR2 (0.52) TDP1TSHRPTGDR2SMN1; SMN2
2,4-Dichlorophenoxyacetic Acid SCHEMBL437562 0.80 TDP1 (0.82) TDP1TSHRMAPTPTGDR2SMN1; SMN2
Metaxon SCHEMBL28681554 0.80 TDP1 (0.62) TDP1TSHRMAPTPTGDR2SMN1; SMN2
2,4-Dichlorophenoxyacetic Acid SCHEMBL29010254 0.80 TDP1 (0.82) TDP1TSHRMAPTPTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US 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-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 (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-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB TDP1 2700/4885TSHR 3003/4885MAPT 3799/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB TDP1 2921/4885TSHR 3063/4885MAPT 3695/4885

“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.