SCHEMBL100729

SCHEMBL100729

[CH2]CC(CC)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 4/20 0.46
TSHR P16473 4/20 0.46
OPRM1 P35372 1/20 0.40
CA2 P00918 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNM1 Q05193 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ATM Q13315 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 1/20 0.34

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
SCHEMBL100741 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL101628 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL101803 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL200853 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL103827 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL23577086 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL201904 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL101603 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL102969 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL99832 0.97 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN claimed
WO-2024031993-A1 STAR-SHAPED MOLECULE CAPABLE OF BEING USED FOR HOLE TRANSPORT LAYER, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国华能集团清洁能源技术研究院有限公司 2024-02-15 WO claimed
CN-116462658-A Synthesis method and application of copper-catalyzed aryl sulfide salt and aryl silane cross-coupling reaction to construct novel C-C bond 中国科学院大学 2023-07-21 CN claimed
CN-115028602-B Star-shaped molecule capable of being used for hole transport layer and preparation method and application thereof 中国华能集团清洁能源技术研究院有限公司 2022-11-15 CN claimed
CN-115028602-A Star-shaped molecule for hole transport layer and preparation method and application thereof 中国华能集团清洁能源技术研究院有限公司 2022-09-09 CN claimed
CN-109476997-B Liquid-crystalline medium 默克专利股份有限公司 2022-08-23 CN claimed
CN-109790467-B Liquid-crystalline medium 默克专利股份有限公司 2022-08-09 CN claimed
CN-114736355-A Electron transport layer material for perovskite solar cell and preparation method and application thereof 华能新能源股份有限公司 2022-07-12 CN claimed
US-11322688-B2 N-type semiconductor composition, and thin film, organic photoelectric device, image sensor, and electronic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-05-03 US claimed
CN-114149405-A Method for synthesizing aromatic thioether through aromatic exchange bimetallic catalysis and application 中国科学院大学 2022-03-08 CN claimed
US-8410161-B2 Thioxanthone ring system derivatives NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-04-02 US claimed
US-20120088810-A1 THIOXANTHONE RING SYSTEM DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-12 US claimed
EP-2426101-A1 Cosmetic preparations Cognis IP Management GmbH (DE) 2012-03-07 EP claimed
WO-2012016642-A1 COSMETIC PREPARATIONS COGNIS IP MANAGEMENT GMBH (DE) 2012-02-09 WO claimed
CN-101512342-A Stabilizing agents and capture ligands for use in assays measuring analyte concentrations BECKMAN COULTER INC (US) 2009-08-19 CN claimed
EP-2047270-A2 STABILIZING AGENTS AND CAPTURE LIGANDS FOR USE IN ASSAYS MEASURING ANALYTE CONCENTRATIONS BECKMAN Coulter, Inc. (US) 2009-04-15 EP claimed
US-20080182341-A1 Stabilizing agents and capture ligands for use in assays measuring analyte concentrations BECKMAN COULTER, INC. 2008-07-31 US claimed
WO-2008039266-A2 STABILIZING AGENTS AND CAPTURE LIGANDS FOR USE IN ASSAYS MEASURING ANALYTE CONCENTRATIONS BECKMAN COULTER, INC. (US) 2008-04-03 WO claimed
EP-0944656-B1 PROCESS FOR PREPARING RUBBER-MODIFIED MOULDING COMPOUNDS BASF AG (DE) 2001-07-11 EP claimed
US-6211297-B1 ANIONIC POLYMERIZATION; MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120088810-A1 THIOXANTHONE RING SYSTEM DERIVATIVES TST, TXN, XDH ALDH1A1 284/4885TDP1 2463/4885LMNA 2965/4885
US-11322688-B2 N-type semiconductor composition, and thin film, organic photoelectric device, image sensor, and electronic device including the same NCS1, SCN1A, EFNA1 ALDH1A1 4171/4885TDP1 986/4885LMNA 3088/4885

“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.