SCHEMBL14740665

SCHEMBL14740665

CCCc1ccc(B(O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LIPG Q9Y5X9 7/20 0.41
LPL P06858 6/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28352475 0.88 CA1 (0.44) TSHRLIPGLPLCA1CA2
SCHEMBL29951913 0.86 LIPG (0.46) TSHRLIPGLPLCA1CA2
SCHEMBL12098018 0.85 LIPG (0.47) TSHRLIPGLPLALDH1A1HSD17B10
SCHEMBL6963519 0.83 TSHR (0.46) TSHRLIPGLPLMEN1ALDH1A1
SCHEMBL552158 0.79 TSHR (0.39) TSHRCA2CYP2E1CYP2D6CYP2A6
SCHEMBL22311215 0.77 LPL (0.35) TSHRLIPGLPLHSD17B10CYP1A2
SCHEMBL177379 0.76 TSHR (0.48) TSHRMEN1ALDH1A1KMT2AMGLL
SCHEMBL29953913 0.76 TSHR (0.48) TSHRCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL1944426 0.73 TSHR (0.42) TSHRMEN1ALDH1A1KMT2ACYP2D6
SCHEMBL31618300 0.73 ALDH1A1 (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279627-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF DANISCO US INC (US) 2024-08-22 US disclosed
US-20230049452-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF DANISCO US INC (US) 2023-02-16 US disclosed
EP-4090727-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF Danisco US Inc. (US) 2022-11-23 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021146255-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF DANISCO US INC (US) 2021-07-22 WO disclosed
EP-3842531-A1 COMPOSITIONS AND METHOD COMPRISING A LIPOLYTIC ENZYME VARIANT Danisco US Inc. (US) 2021-06-30 EP disclosed
EP-3833731-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF Danisco US Inc. (US) 2021-06-16 EP disclosed
US-10920204-B2 Compositions and methods comprising a lipolytic enzyme variant DANISCO US INC (US) 2021-02-16 US disclosed
EP-2906691-B1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC (US) 2021-01-27 EP disclosed
US-10865398-B2 Compositions and methods comprising a lipolytic enzyme variant DANISCO US INC (US) 2020-12-15 US disclosed
US-20150291944-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC. (US) 2015-10-15 US disclosed
EP-2906691-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT Danisco US Inc. (US) 2015-08-19 EP disclosed
US-8871952-B2 Thiophene compounds for liquid-crystalline media MERCK PATENT GMBH (DE) 2014-10-28 US disclosed
EP-2751263-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT Danisco US Inc. (US) 2014-07-09 EP disclosed
US-20140187468-A1 Compositions and Methods Comprising a Lipolytic Enzyme Variant DANISCO US INC. (US) 2014-07-03 US disclosed
WO-2014100018-A1 NOVEL MANNANASE, COMPOSITIONS AND METHODS OF USE THEREOF DANISCO US INC. (US) 2014-06-26 WO disclosed
CN-103646191-A Virtual screening method for micromolecular reversible inhibitor of alkaline metalloproteinase from flavobacterium YS-80-122 YELLOW SEA FISHERIES RES INST CHINESE ACAD FISHERY SCIENCES 2014-03-19 CN disclosed
US-20140070141-A1 THIOPHENE COMPOUNDS FOR LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2014-03-13 US disclosed
WO-2013033318-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC. (US) 2013-03-07 WO disclosed
US-20110301360-A1 THIOPHENE COMPOUNDS FOR LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-12-08 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 (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-20110301360-A1 THIOPHENE COMPOUNDS FOR LIQUID-CRYSTALLINE MEDIA CCNE2, CCNE1, C5 TSHR 881/4885LIPG 2827/4885LPL 3143/4885

“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.