SCHEMBL7909080

SCHEMBL7909080

CCCCCCCCCCCCCC[PH](C)(C)CCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 7/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL11414639 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11897687 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL3761314 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5834610 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4818012 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11897647 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL1011737 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL428085 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11081456 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5570759 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA

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
US-6200588-B1 HEPARIN COMPLEX TOYO BOSEKI KABUSHIKI KAISHA (JP) 2001-03-13 US claimed
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2019-09-05 US disclosed
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-11-23 US disclosed
WO-2016077290-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-05-19 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 (2 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-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 TSHR 2475/4885THRB 4017/4885DNM1 2122/4885
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 TSHR 2324/4885THRB 3092/4885DNM1 1579/4885

“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.