SCHEMBL837704

SCHEMBL837704

COC1CCc2ccc(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
IDO1 P14902 3/20 0.39
SRD5A1 P18405 2/20 0.36
CYP2D6 P10635 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP19A1 P11511 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CHRNA7 P36544 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
SCHEMBL18347078 1.00 SLC6A4 (0.47) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL18347073 1.00 SLC6A4 (0.47) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL18347081 0.89 IDO1 (0.42) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL20078384 0.80 SLC6A4 (0.44) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL17729306 0.79 IDO1 (0.42) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL6482195 0.79 HTR2A (0.47) SLC6A4HTR2CHTR2BIDO1SRD5A1
SCHEMBL25904940 0.78 DRD2 (0.50) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL14349183 0.77 HTR2C (0.38) SLC6A4HTR2CHTR2BIDO1ALDH1A1
SCHEMBL409985 0.76 ACHE (0.43) SLC6A4HTR2CHTR2BDRD2DRD1
SCHEMBL14209228 0.76 IDO1 (0.66) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-20160376238-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-12-29 US disclosed
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 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 (3 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-20160376238-A1 THERAPEUTIC COMPOUNDS SIRT2, SIRT1, SIRT3 SLC6A4 3701/4885HTR2C 3130/4885HTR2B 3022/4885
US-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 SLC6A4 2527/4885HTR2C 1805/4885HTR2B 2187/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 SLC6A4 2527/4885HTR2C 1805/4885HTR2B 2187/4885

“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.