SCHEMBL93004

SCHEMBL93004

CCCCc1ccc(OCCCc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
SIGMAR1 Q99720 2/20 0.42
CSNK2A1 P68400 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 2/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PSEN1 P49768 1/20 0.41
BACE1 P56817 1/20 0.40
IDO1 P14902 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
ATM Q13315 1/20 0.39
NR1H2 P55055 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL12337602 0.85 S1PR1 (0.71) S1PR1SMN1; SMN2GLATHRATHRB
SCHEMBL93042 0.84 S1PR1 (0.57) S1PR1SMN1; SMN2GLATHRATHRB
SCHEMBL78656 0.82 S1PR1 (0.67) S1PR1SMN1; SMN2GLAGPR84
SCHEMBL78657 0.82 S1PR1 (0.67) S1PR1SMN1; SMN2GLAGPR84
SCHEMBL86698 0.82 S1PR1 (0.67) S1PR1SMN1; SMN2GLAGPR84
SCHEMBL81476 0.82 S1PR1 (0.58) S1PR1SMN1; SMN2GLAPPARGIDO1
SCHEMBL82355 0.82 S1PR1 (0.58) S1PR1SMN1; SMN2GLAPPARGIDO1
SCHEMBL81475 0.82 S1PR1 (0.58) S1PR1SMN1; SMN2GLAPPARGIDO1
SCHEMBL17654334 0.81 MRGPRX4 (0.46) S1PR1SMN1; SMN2GLAIGF1RALOX15
Hydrochloric Acid SCHEMBL80057 0.81 S1PR1 (0.66) S1PR1SMN1; SMN2GLAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885SMN1; SMN2 3560/4885GLA 2688/4885

“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.