SCHEMBL3894872

SCHEMBL3894872

C=Cc1cc(C(=O)Cl)ccc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
HSP90AA1 P07900 3/20 0.33
HSP90AB1 P08238 3/20 0.33
RARA P10276 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ESRRA P11474 1/20 0.32
TNFRSF1A P19438 1/20 0.31
PTPN1 P18031 2/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 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
SCHEMBL5307068 0.85 RARG (0.44) RARBRARGRARAMEN1KMT2A
SCHEMBL4682582 0.75 ESRRA (0.41) HSP90AA1HSP90AB1ESRRAALDH1A1TSHR
SCHEMBL4684406 0.75 HSP90AA1 (0.36) RARBRARGHSP90AA1HSP90AB1ESRRA
SCHEMBL8527035 0.75 HSP90AA1 (0.36) RARBRARGHSP90AA1HSP90AB1RARA
SCHEMBL10020262 0.75 ALDH1A1 (0.33) ALDH1A1TSHRMEN1KMT2ASLC22A8
SCHEMBL2154079 0.74 HSP90AA1 (0.41) RARBRARGHSP90AA1HSP90AB1RARA
Benzoyl Chloride SCHEMBL8174136 0.74 HDAC1 (0.36) MEN1KMT2A
SCHEMBL4133325 0.74 CES2 (0.39) ALDH1A1TSHR
SCHEMBL1707584 0.74 NOTUM (0.46) RARBRARGHSP90AA1HSP90AB1ESRRA
SCHEMBL28829670 0.73 ALDH1A1 (0.50) ESRRAPTGS1PTGS2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047247-A1 Pyrrolidine Derivatives ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2009003009-A1 SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2007039143-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USER FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITICS C (HCV) GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039142-A1 C (2) -HETEROARYLMETHYL-C (4) -METHOXYMETHYL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO 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 (3 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-20090004140-A1 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES EIF2AK2, RNGTT, POLR2E RARB 3255/4885RARG 3711/4885HSP90AA1 2215/4885
US-20090022689-A1 C4-SPIRO-PYRROLIDINE ANTIVIRALS ZC3HAV1, HAVCR2, HCCS RARB 3164/4885RARG 3635/4885HSP90AA1 2159/4885
US-20090047247-A1 Pyrrolidine Derivatives ZC3HAV1, EIF2AK2, POLRMT RARB 3267/4885RARG 3725/4885HSP90AA1 2066/4885

“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.