SCHEMBL10120992

SCHEMBL10120992

CC(C)Cc1cc(CC(C)C)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 9/20 0.42
NPC1 O15118 7/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
DCLK1 O15075 1/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
CDK1 P06493 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL10154815 0.88 RAB9A (0.46) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL11928813 0.88 RAB9A (0.39) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL3350172 0.86 MAPK1 (0.41) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL854822 0.86 S1PR1 (0.42) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL5287165 0.86 NOTUM (0.41) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL20427474 0.84 RAB9A (0.49) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL19364783 0.84 RAB9A (0.42) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL21350422 0.83 S1PR1 (0.40) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL5283890 0.81 MAPK1 (0.36) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL5297276 0.80 VHL (0.42) S1PR1S1PR3ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-07-09 US disclosed
US-20200190019-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-18 US disclosed
US-10550071-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-02-04 US disclosed
US-10035819-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-07-31 US disclosed
US-10035819-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-07-31 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8242156-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242156-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (12 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA S1PR1 809/4885S1PR3 820/4885ALDH1A1 1664/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 S1PR1 3018/4885S1PR3 2747/4885ALDH1A1 201/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 S1PR1 1117/4885S1PR3 1165/4885ALDH1A1 365/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 S1PR1 3018/4885S1PR3 2747/4885ALDH1A1 201/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 S1PR1 3511/4885S1PR3 3210/4885ALDH1A1 287/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L S1PR1 2523/4885S1PR3 2406/4885ALDH1A1 132/4885
US-20200190019-A1 PPAR AGONISTS PPARG, PPARD, PPARA S1PR1 809/4885S1PR3 820/4885ALDH1A1 1664/4885
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA S1PR1 1579/4885S1PR3 1474/4885ALDH1A1 1520/4885
US-11130779-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA S1PR1 1579/4885S1PR3 1474/4885ALDH1A1 1520/4885
US-10550071-B2 PPAR agonists PPARG, PPARD, PPARA S1PR1 809/4885S1PR3 820/4885ALDH1A1 1664/4885
US-10035819-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA S1PR1 1579/4885S1PR3 1474/4885ALDH1A1 1520/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L S1PR1 2523/4885S1PR3 2406/4885ALDH1A1 132/4885

“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.