SCHEMBL11902887

SCHEMBL11902887

Cc1ccc(C2CC2CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.63
HTR2B P41595 11/20 0.63
HTR2A P28223 8/20 0.63
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.41
MAOB P27338 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
SCHEMBL11965119 1.00 HTR2C (0.63) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL13113993 0.84 HTR2C (0.59) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL17004069 0.81 HTR2C (0.66) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL13591154 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL4893904 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL2826042 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL16569648 0.79 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL16569276 0.79 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL19262111 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL16585035 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A4SLC6A3

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-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 HTR2C 3437/4885HTR2B 3611/4885HTR2A 3638/4885

“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.