SCHEMBL4397606

SCHEMBL4397606

CCCCCCCCCCC[N]CCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NAAA Q02083 1/20 0.52
DNM1 Q05193 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 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
SCHEMBL1691906 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL9206028 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL276911 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL4399689 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7699808 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL107940 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL4389498 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7697182 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL95733 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL277225 1.00 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380093-B1 BETA-HYDROXY KETONES AS TOPICAL AGENTS FOR THE PROPHYLAXIS OR TREATMENT OF PHOTODERMATOSES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
US-20200237685-A1 Beta-Hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses MERCK PATENT GMBH (DE) 2020-07-30 US disclosed
US-10660867-B2 Beta-hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses MERCK PATENT GMBH (DE) 2020-05-26 US disclosed
US-20180353442-A1 Beta-Hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses MERCK PATENT GMBH (DE) 2018-12-13 US disclosed
EP-3380093-A1 BETA-HYDROXY KETONES AS TOPICAL AGENTS FOR THE PROPHYLAXIS OR TREATMENT OF PHOTODERMATOSES Merck Patent GmbH (DE) 2018-10-03 EP disclosed
WO-2017088950-A1 BETA-HYDROXY KETONES AS TOPICAL AGENTS FOR THE PROPHYLAXIS OR TREATMENT OF PHOTODERMATOSES MERCK PATENT GMBH (DE) 2017-06-01 WO disclosed
EP-2508527-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO LTD (KR) 2015-01-07 EP disclosed
EP-2508527-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USE THEREFOR Showa Denko K.K. (JP) 2012-10-10 EP disclosed
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO., LTD (KR) 2012-09-20 US disclosed
EP-1385913-B1 METALLOCENYL PHTHALOCYANINES AS OPTICAL RECORDING MEDIA BASF SE (DE) 2009-12-09 EP disclosed
WO-2000009522-A1 METALLOCENYL-PHTHALOCYANINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-24 WO disclosed
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0866084-A2 Production process of cross-linked polyaspartic acid resin Mitsui Chemicals, Inc. (JP) 1998-09-23 EP disclosed
EP-0730569-B1 NOVEL TRIPHENYLENE COMPOUNDS AND PROCESS FOR PRODUCING DISCOIDALLY LIQUID CRYSTALLINE CROSS-LINKED POLYMERS BASF AG (DE) 1998-08-26 EP disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed
US-5736068-A Triphenylene compounds and preparation of discotic liquid crystalline crosslinked polymers BASF AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed
EP-0730569-A1 NOVEL TRIPHENYLENE COMPOUNDS AND PROCESS FOR PRODUCING DISCOIDALLY LIQUID CRYSTALLINE CROSS-LINKED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1996-09-11 EP disclosed
WO-1995014652-A1 NOVEL TRIPHENYLENE COMPOUNDS AND PROCESS FOR PRODUCING DISCOIDALLY LIQUID CRYSTALLINE CROSS-LINKED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
US-5214146-A Color formers for pressure sensitive recording materials BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0490200-A1 Derivatives of quinoline carboxylic acid BASF Aktiengesellschaft (DE) 1992-06-17 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 (4 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-20200237685-A1 Beta-Hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses CYP51A1, HSD17B1, CYP8B1 TSHR 4867/4885THRB 3193/4885MEN1 4407/4885
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF ELP1, AGO2, IPO5 TSHR 4269/4885THRB 4572/4885MEN1 463/4885
US-10660867-B2 Beta-hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses CYP51A1, HSD17B1, CYP8B1 TSHR 4867/4885THRB 3193/4885MEN1 4407/4885
US-20180353442-A1 Beta-Hydroxyketones as topical active ingredients for the prevention or treatment of photodermatoses CYP51A1, HSD17B1, CYP8B1 TSHR 4867/4885THRB 3193/4885MEN1 4407/4885

“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.