SCHEMBL302968

SCHEMBL302968

CCCCCCCCCCCCCCCCCCPCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 7/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL28159495 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5393167 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5405708 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5380080 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL303278 1.00
SCHEMBL303575 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5380772 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5397599 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL21306468 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL27910530 1.00 TSHR (0.50) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 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 (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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 TSHR 1299/4885THRB 3448/4885DNM1 1439/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 TSHR 2222/4885THRB 4403/4885DNM1 162/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR TSHR 2185/4885THRB 4024/4885DNM1 563/4885

“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.