SCHEMBL17319912

SCHEMBL17319912

CC1(C)OB(c2ccc(Cl)cc2OCc2ccccc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DGAT1 O75907 1/20 0.43
PTGER1 P34995 6/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ENPP2 Q13822 1/20 0.39
EGFR P00533 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
SCHEMBL2104051 0.90 SLC6A4 (0.44) SLC6A4HTR2CHTR2BDGAT1PTGER1
SCHEMBL20805182 0.85 DGAT1 (0.52) HTR2BDGAT1
SCHEMBL25819319 0.85 DGAT1 (0.44) DGAT1PTGER1MRGPRX4
SCHEMBL9946168 0.83 MAPT (0.49) DGAT1
SCHEMBL24855370 0.82 DGAT1 (0.41) DGAT1PTGER1MEN1KMT2A
SCHEMBL22712452 0.82 DGAT1 (0.41) SLC6A4HTR2CHTR2BDGAT1MRGPRX4
SCHEMBL31020087 0.81 SLC6A4 (0.47) SLC6A4HTR2CHTR2BDGAT1PTGER1
SCHEMBL24402681 0.81 DGAT1 (0.42) SLC6A4HTR2CHTR2BDGAT1MRGPRX4
SCHEMBL24855369 0.80 PTGER1 (0.41) DGAT1PTGER1MEN1KMT2A
SCHEMBL30214788 0.80 DGAT1 (0.45) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP 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 SLC6A4 2720/4885HTR2C 2238/4885HTR2B 1907/4885

“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.