SCHEMBL5575232

SCHEMBL5575232

CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
SCHEMBL33335 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11100623 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9023160 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5571338 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL22186740 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5574655 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL307959 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5273324 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL20610044 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9835189 1.00 TSHR (0.61) 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-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
CN-107162981-B Antibacterial polymerizable monomer containing halogenated imidazole salt structure and preparation method and application thereof 华南理工大学 2020-05-22 CN disclosed
US-20130190399-A1 Synthesis and use of omega-3 and omega 6 very long chain polyunsaturated fatty acids (VLC-PUFA) MARTEK BIOSCIENCES CORPORATION (US) 2013-07-25 US disclosed
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 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-20130190399-A1 Synthesis and use of omega-3 and omega 6 very long chain polyunsaturated fatty acids (VLC-PUFA) ELOVL3, ELOVL6, ELOVL1 TSHR 3389/4885THRB 3039/4885DNM1 2918/4885

“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.