SCHEMBL9543167

SCHEMBL9543167

N#CCCCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
LTB4R Q15722 1/20 0.44
NAAA Q02083 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
GUSB P08236 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL20641675 1.00 L3MBTL1 (0.50) L3MBTL1TDP1TSHRLTB4RNAAA
SCHEMBL10970522 0.98 TSHR (0.50) L3MBTL1TDP1TSHRLTB4RNAAA
SCHEMBL3648830 0.93 TSHR (0.52) L3MBTL1TDP1TSHRNAAAHRH4
SCHEMBL26813025 0.89 TSHR (0.48) L3MBTL1TDP1TSHRNAAAHRH4
Biphenyl SCHEMBL27837456 0.88 NAAA (0.51) L3MBTL1TDP1TSHRLTB4RNAAA
SCHEMBL26812996 0.86 TSHR (0.48) L3MBTL1TDP1TSHRNAAAHRH4
SCHEMBL5447262 0.85 TSHR (0.56) L3MBTL1TDP1TSHRNAAAHRH4
SCHEMBL9011734 0.84 TSHR (0.67) L3MBTL1TDP1TSHRNAAAHRH4
SCHEMBL9011646 0.84 TSHR (0.67) L3MBTL1TDP1TSHRNAAAHRH4
SCHEMBL9011624 0.84 TSHR (0.67) L3MBTL1TDP1TSHRNAAAHRH4

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-12171756-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-12-24 US disclosed
CN-111793060-B NLRP3 modulators 先天肿瘤免疫公司 2023-06-06 CN disclosed
US-20220257587-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-08-18 US disclosed
US-11344543-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2022-05-31 US disclosed
EP-3652166-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-05-20 EP disclosed
US-20200129500-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-04-30 US disclosed
WO-2019014402-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2019-01-17 WO disclosed
WO-1993001196-A1 KETOALKYLGLYCEROPHOSPHOLIPIDS HAVING ANTITUMOR AND ANTI-PLATELET AGGREGATION ACTIVITIES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM LABORATORIOS MENARINI S.A. (ES) 1993-01-21 WO disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 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 (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-20200129500-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD L3MBTL1 3770/4885TDP1 575/4885TSHR 4789/4885
US-20220257587-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD L3MBTL1 3780/4885TDP1 842/4885TSHR 4795/4885
US-11344543-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD L3MBTL1 3770/4885TDP1 575/4885TSHR 4789/4885
US-12171756-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD L3MBTL1 3780/4885TDP1 842/4885TSHR 4795/4885

“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.