SCHEMBL13599501

SCHEMBL13599501

C=C(C)Cc1ccc(C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CA2 P00918 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.38
CCR2 P41597 1/20 0.38
MAPT P10636 2/20 0.37
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.37
AGTR1 P30556 1/20 0.37
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8964763 0.85 ALDH1A1 (0.42) ALDH1A1NPSR1CYP3A4CA2KDM4E
SCHEMBL8338767 0.84 IDO1 (0.48) ALDH1A1CA2MAPTKMT2ASMN1; SMN2
SCHEMBL15181144 0.81 CA2 (0.46) ALDH1A1NPSR1CYP3A4CA2KDM4E
SCHEMBL10272184 0.79 PIK3CA (0.49) ALDH1A1NPSR1CA2KDM4EMAPT
SCHEMBL11836830 0.79 CYP3A4 (0.57) ALDH1A1CYP3A4CA2KDM4ECA1
SCHEMBL13356386 0.77 DAO (0.40) ALDH1A1NPSR1MAPTKMT2ALMNA
SCHEMBL1403495 0.77 CA2 (0.65) ALDH1A1NPSR1CA2KDM4ECA1
SCHEMBL20653537 0.77 ALDH1A1 (0.38) ALDH1A1CA2CA1
SCHEMBL22161863 0.77 TSHR (0.46) ALDH1A1NPSR1CYP3A4MAPTKDM1A
SCHEMBL4685210 0.76 CA2 (0.47) ALDH1A1NPSR1CYP3A4CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL ALDH1A1 3748/4885NPSR1 25/4885CYP3A4 3698/4885

“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.