SCHEMBL14576750

SCHEMBL14576750

CCCCCCCCc1ccc(-c2ccccc2-c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
SOAT1 P35610 3/20 0.43
RARB P10826 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HSD11B1 P28845 1/20 0.42
GCGR P47871 2/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL14576870 1.00 KCNH2 (0.45) KCNH2SOAT1RARBCNR1CNR2
SCHEMBL9500323 0.82 KCNH2 (0.40) KCNH2RARBGCGRNPC1MAPT
SCHEMBL9500522 0.82 KCNH2 (0.40) KCNH2RARBGCGRNPC1MAPT
SCHEMBL9500222 0.82 KCNH2 (0.40) KCNH2RARBGCGRNPC1MAPT
SCHEMBL9498670 0.82 KCNH2 (0.40) KCNH2RARBGCGRNPC1MAPT
SCHEMBL9499377 0.82 KCNH2 (0.40) KCNH2RARBGCGRNPC1MAPT
SCHEMBL9500482 0.80 KCNH2 (0.37) KCNH2RARBGCGRNPC1MAPT
SCHEMBL7872685 0.78 MAPT (0.56) KCNH2RARBNPC1MAPTSTAT3
SCHEMBL8168071 0.78 MAPT (0.56) KCNH2RARBNPC1MAPTSTAT3
SCHEMBL5672731 0.78 SOAT1 (0.54) SOAT1

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-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 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-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 KCNH2 2920/4885SOAT1 233/4885RARB 1621/4885

“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.