SCHEMBL8909014

SCHEMBL8909014

Cc1cc(C)c(Br)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD3 P35462 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ESR2 Q92731 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
SCHEMBL356846 0.87 TSHR (0.40) CYP1A2CYP3A4TSHRMAPK1DRD3
SCHEMBL30006601 0.84 CYP3A4 (0.38) CYP1A2CYP3A4TSHRMAPK1DRD3
SCHEMBL21218742 0.81 CYP1A2 (0.43) CYP1A2CYP3A4TSHRMAPK1DRD3
SCHEMBL1793576 0.80 CYP1A2 (0.52) CYP1A2CYP3A4TSHRMAPK1
SCHEMBL21218762 0.79 APEX1 (0.38) CYP1A2TSHR
SCHEMBL19624709 0.79 ALDH1A1 (0.33) CYP1A2TSHRDRD3PDE3BPDE3A
SCHEMBL120101 0.75 TSHR (0.39) CYP3A4TSHRMAPK1
SCHEMBL23249000 0.75 CYP3A4 (0.32) CYP1A2CYP3A4TSHRMAPK1DRD3
SCHEMBL658795 0.75 ACHE (0.43) CYP1A2CYP3A4MAPK1DRD3ESR2
SCHEMBL14138399 0.75 ALDH1A1 (0.52) CYP1A2CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 US disclosed
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 US disclosed
US-9107946-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2015-08-18 US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 US disclosed
CN-1067994-C Bisresorcinyltriazines CIBA GEIGY AG (CH) 2001-07-04 CN disclosed
US-5686233-A PHOTOGRAPHIC FILM STABILIZER CIBA-GEIGY CORPORATION (US) 1997-11-11 US disclosed
CN-1132747-A Bisresorcinyltriazines CIBA GEIGY AG (CH) 1996-10-09 CN 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 CYP1A2 3022/4885CYP3A4 1671/4885TSHR 4526/4885
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 CYP1A2 644/4885CYP3A4 567/4885TSHR 1007/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 CYP1A2 233/4885CYP3A4 740/4885TSHR 2514/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 CYP1A2 191/4885CYP3A4 726/4885TSHR 2641/4885

“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.