SCHEMBL12683402

SCHEMBL12683402

O=Cc1cc2cc3sc(C=O)cc3cc2s1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.61
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL17666728 0.87 CYP2A6 (0.71) CYP2A6ICAM1SELE
SCHEMBL32665969 0.84 CYP2A6 (0.52) CYP2A6ICAM1SELE
SCHEMBL12683414 0.82 CYP2A6 (0.46) CYP2A6
SCHEMBL7032634 0.80 CYP2A6 (0.51) CYP2A6
SCHEMBL23775695 0.78 CYP2A6 (0.60) CYP2A6
SCHEMBL21234699 0.77 CYP2A6 (0.49) CYP2A6
SCHEMBL56884 0.77 CYP2A6 (1.00) CYP2A6
SCHEMBL29629031 0.77 CYP2A6 (1.00) CYP2A6
SCHEMBL1397680 0.77 CYP2A6 (1.00) CYP2A6ICAM1SELE
SCHEMBL21234909 0.77 CYP2A6 (0.58) CYP2A6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118841311-A Separation-ionization integrated mass spectrum ionization element, device and application for aflatoxin compound detection 中国检验检疫科学研究院 2024-10-25 CN claimed
CN-115466366-B Metal-combined thienyl organic porous polymer material, and preparation method and application thereof 福州大学 2024-06-14 CN claimed
CN-115466366-A Metal-bonded thienyl organic porous polymer material and preparation method and application thereof 福州大学 2022-12-13 CN claimed
CN-121775816-A Preparation and application of covalent organic framework composite fiber material 福州大学 2026-04-03 CN disclosed
CN-118841311-A Separation-ionization integrated mass spectrum ionization element, device and application for aflatoxin compound detection 中国检验检疫科学研究院 2024-10-25 CN disclosed
CN-115466366-B Metal-combined thienyl organic porous polymer material, and preparation method and application thereof 福州大学 2024-06-14 CN disclosed
CN-115466366-B Metal-combined thienyl organic porous polymer material, and preparation method and application thereof 福州大学 2024-06-14 CN disclosed
CN-115466366-A Metal-bonded thienyl organic porous polymer material and preparation method and application thereof 福州大学 2022-12-13 CN disclosed
US-10230059-B2 Organic compound and organic thin film and electronic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-03-12 US disclosed
US-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-22 US disclosed
US-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-22 US disclosed
WO-2012107488-A2 METAL-FREE PHOTOSENSITIZERS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2012-08-16 WO 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 (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-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE OCIAD1, POU2F1, SLCO2A1 CYP2A6 555/4885ICAM1 99/4885SELE 1460/4885
US-10230059-B2 Organic compound and organic thin film and electronic device OCIAD1, POU2F1, SLCO2A1 CYP2A6 555/4885ICAM1 99/4885SELE 1460/4885

“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.