SCHEMBL3848571

SCHEMBL3848571

CC(C)COB(OCC(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.36
ALOX12 P18054 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPM2 O94759 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
ORAI1 Q96D31 2/20 0.36
ORAI2 Q96SN7 2/20 0.36
ORAI3 Q9BRQ5 2/20 0.36
TRPV6 Q9H1D0 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1677080 0.86 PCSK9 (0.42) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL1235485 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL28726874 0.79 LMNA (0.42) ALDH1A1TSHRHPGDMEN1ALOX12
Water SCHEMBL27733082 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL7449530 0.77 ALDH1A1 (0.47) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL9160020 0.75 KDM4E (0.32) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL907509 0.75 TSHR (0.40) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL7796509 0.71 MEN1 (0.42) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL7376855 0.71 CA4 (0.39) ALDH1A1TSHRHPGDMEN1ALOX12
SCHEMBL2199544 0.70 CYP1A2 (0.50) ALDH1A1TSHRHPGDMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094292-A Composite film, preparation method thereof and solar cell module containing composite film 2026-05-26 CN disclosed
CN-114831977-B Application of benzoic acid derivative as TRPM2 protein inhibitor 北京大学 2023-12-19 CN disclosed
CN-112107542-A Has tumor pH and H2O2Multifunctional polymer micelle with specific activated antitumor activity and preparation method thereof 西北师范大学 2020-12-22 CN disclosed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-2729150-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-9161924-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-20 US disclosed
CN-104478904-A Anthracene-ring bitriazol-cupric tetrafluoroborate complex capable of catalyzing 4-tert-butyl phenylboronic acid and preparation method thereof UNIV TIANJIN NORMAL 2015-04-01 CN disclosed
CN-104478904-A Anthracene-ring bitriazol-cupric tetrafluoroborate complex capable of catalyzing 4-tert-butyl phenylboronic acid and preparation method thereof UNIV TIANJIN NORMAL 2015-04-01 CN disclosed
US-20140219989-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2014-08-07 US disclosed
EP-2729150-A2 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-14 EP disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
WO-2006093823-A1 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA, INC. (US) 2006-09-08 WO disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 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 (6 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-20140219989-A1 FACTOR IXA INHIBITORS F9, F12, F11 ALDH1A1 1489/4885TSHR 1691/4885HPGD 1452/4885
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 ALDH1A1 536/4885TSHR 605/4885HPGD 3774/4885
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB ALDH1A1 1734/4885TSHR 4667/4885HPGD 1671/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 ALDH1A1 2886/4885TSHR 867/4885HPGD 774/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 ALDH1A1 2892/4885TSHR 912/4885HPGD 997/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 ALDH1A1 2897/4885TSHR 970/4885HPGD 921/4885

“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.