SCHEMBL103124

SCHEMBL103124

C#CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2A6 P11509 2/20 0.46
HTR2A P28223 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PYCR1 P32322 1/20 0.43
BLM P54132 1/20 0.42

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
Hydrochloric Acid SCHEMBL7366009 0.97 ALDH1A1 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL27402183 0.86 PYCR1 (0.50) TAAR1LMNATSHRPYCR1
SCHEMBL386561 0.85 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL31711128 0.83 HTR2A (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
Bromide SCHEMBL28242863 0.83 SIGMAR1 (0.46) SMN1; SMN2HTR2AMAOAMAOBMIF
SCHEMBL7687609 0.83 MAOA (0.52) ALDH1A1ALOX15MAOAMAOBCYP3A4
SCHEMBL24925830 0.81 SIGMAR1 (0.52) ALDH1A1ALOX15MAOAMAOBCYP3A4
SCHEMBL7681064 0.81 SIGMAR1 (0.52) ALDH1A1ALOX15MAOAMAOBCYP3A4
SCHEMBL2405377 0.81 SIGMAR1 (0.52) ALDH1A1ALOX15MAOAMAOBCYP3A4
SCHEMBL2876232 0.81 SIGMAR1 (0.52) ALDH1A1ALOX15MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744089-A1 SELECTIVE DEPOSITION OF ALUMINUM-CONTAINING DIELECTRIC MATERIAL ON DIELECTRIC OVER METAL UTILIZING ALKYNES Versum Materials US, LLC (US) 2026-05-20 EP claimed
WO-2025226985-A1 PASSIVATION OF POLYSILICON MATERIAL AND SELECTIVE DEPOSITION OF DIELECTRIC MATERIAL UTILIZING ALKYNES VERSUM MATERIALS US, LLC (US) 2025-10-30 WO claimed
WO-2025038887-A1 SELECTIVE DEPOSITION OF ALUMINUM-CONTAINING DIELECTRIC MATERIAL ON DIELECTRIC OVER METAL UTILIZING ALKYNES VERSUM MATERIALS US, LLC (US) 2025-02-20 WO claimed
CN-114989151-B Mountain lotus leaf extract 5-substituted triazole derivative and preparation method thereof 南通大学 2023-10-31 CN claimed
CN-115010704-B Mountain nuciferine 4-substituted triazole derivative and preparation method thereof 南通大学 2023-10-31 CN claimed
CN-115010704-A Diphyllin 4-substituted triazole derivative and preparation method thereof 南通大学 2022-09-06 CN claimed
CN-114989151-A Diphyllin 5-substituted triazole derivative and preparation method thereof 南通大学 2022-09-02 CN claimed
CN-112794958-B Antibacterial polycarboxylate superplasticizer and preparation method thereof 江苏奥莱特新材料股份有限公司 2022-07-26 CN claimed
CN-112794958-A Antibacterial polycarboxylate superplasticizer and preparation method thereof 江苏奥莱特新材料股份有限公司 2021-05-14 CN claimed
CN-109817894-B Negative electrode for lithium metal battery and preparation method and application thereof 厦门大学 2021-05-14 CN claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP claimed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP claimed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO claimed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP 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 (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-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS ALDH1A1 568/4885HPGD 106/4885ALOX15 715/4885

“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.