SCHEMBL17344749

SCHEMBL17344749

Cc1c(C(C)C)ccc(Cl)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.45
GABRB1 P18505 4/20 0.45
LMNA P02545 3/20 0.44
GABRB2 P47870 4/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRG2 P18507 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2C P28335 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL24451056 0.82 GABRA1 (0.52) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL16789571 0.81 GABRA1 (0.56) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL13038361 0.79 LMNA (0.39) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL3927190 0.77 GABRA1 (0.46) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL15011592 0.77 LMNA (0.50) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL29477364 0.77 GABRA1 (0.46) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL11699414 0.76 DPP4 (0.42) CA1CA2CYP3A4HPGDTSHR
SCHEMBL18885910 0.76 LMNA (0.36) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL17344748 0.74 GABRA1 (0.45) GABRA1GABRB1LMNAGABRB2SLC6A2
SCHEMBL6406061 0.74 LMNA (0.36) GABRA1GABRB1LMNASLC6A2HTR2B

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-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA GABRA1 4098/4885GABRB1 4066/4885LMNA 3937/4885

“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.