SCHEMBL727474

SCHEMBL727474

COC1(c2ccc(SC)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.35
CYP1A2 P05177 6/20 0.35
CYP1B1 Q16678 6/20 0.35
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GSK3B P49841 1/20 0.31
PTGS2 P35354 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
SCHEMBL1553584 0.80 ALDH1A1 (0.37) SLC6A4ALDH1A1
SCHEMBL4429077 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17265633 0.73 TSHR (0.37) ALDH1A1
SCHEMBL19315862 0.72
SCHEMBL3672322 0.72 LMNA (0.31) PTGS2
SCHEMBL12535871 0.72 IDO1 (0.44)
SCHEMBL83839 0.65 ALDH1A1 (0.58) CYP1A1CYP1A2CYP1B1SLC6A4SLC6A3
SCHEMBL24742132 0.64 SLC6A4 (0.39) SLC6A4SLC6A3ALDH1A1GSK3BPTGS2
SCHEMBL26106467 0.62 ALDH1A1 (0.55) CYP1A1CYP1A2CYP1B1SLC6A4SLC6A3
SCHEMBL9858191 0.62 CYP1A1 (0.51) CYP1A1CYP1A2CYP1B1SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494427-B Simple oxidative functionalization of alkylaryl ketones IGM集团私人有限公司 2023-03-28 CN disclosed
US-11203580-B2 Simple oxidative functionalized of alkyl aryl ketones IGM GROUP B.V. (NL) 2021-12-21 US disclosed
US-11203580-B2 Simple oxidative functionalized of alkyl aryl ketones IGM GROUP B.V. (NL) 2021-12-21 US disclosed
EP-3395806-B1 SIMPLE OXIDATIVE FUNCTIONALIZATION OF ALKYL ARYL KETONES IGM GROUP B V (NL) 2020-04-08 EP disclosed
EP-3395806-B1 SIMPLE OXIDATIVE FUNCTIONALIZATION OF ALKYL ARYL KETONES IGM GROUP B V (NL) 2020-04-08 EP disclosed
US-20200031790-A1 SIMPLE OXIDATIVE FUNCTIONALIZED OF ALKYL ARYL KETONES IGM GROUP B V (NL) 2020-01-30 US disclosed
US-20200031790-A1 SIMPLE OXIDATIVE FUNCTIONALIZED OF ALKYL ARYL KETONES IGM GROUP B V (NL) 2020-01-30 US disclosed
WO-2018197324-A1 SIMPLE OXIDATIVE FUNCTIONALIZATION OF ALKYL ARYL KETONES IGM GROUP B.V. (NL) 2018-11-01 WO disclosed
EP-3395806-A1 SIMPLE OXIDATIVE FUNCTIONALIZATION OF ALKYL ARYL KETONES IGM Group B.V. (NL) 2018-10-31 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed
EP-0110832-B1 XANTHENE-9-ONES AND THIOXANTHENE-9-ONES CIBA-GEIGY AG (CH) 1989-12-27 EP disclosed
US-4681950-A PHOTOSENSITIZERS CIBA-GEIGY CORPORATION (US) 1987-07-21 US disclosed
EP-0088050-B1 COLOURED PHOTO-HARDENABLE COMPOSITION CIBA-GEIGY AG (CH) 1986-09-03 EP disclosed
US-4585876-A PHOTOSENSITIZERS CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed
EP-0110832-A1 Xanthene-9-ones and thioxanthene-9-ones CIBA-GEIGY AG (CH) 1984-06-13 EP disclosed
EP-0088050-A2 Coloured photo-hardenable composition CIBA-GEIGY AG (CH) 1983-09-07 EP 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-11203580-B2 Simple oxidative functionalized of alkyl aryl ketones AOX1, CBR1, NOX4 CYP1A1 35/4885CYP1A2 52/4885CYP1B1 42/4885
US-20200031790-A1 SIMPLE OXIDATIVE FUNCTIONALIZED OF ALKYL ARYL KETONES AOX1, CBR1, NOX4 CYP1A1 35/4885CYP1A2 52/4885CYP1B1 42/4885

“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.