SCHEMBL11908430

SCHEMBL11908430

C[S+]([O-])c1ccc2ccccc2c1-c1c([S+](C)[O-])ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HPRT1 P00492 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ WDR5 P61964 1/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ DNMT1 P26358 1/20 0.38
▸ CES1 P23141 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL18073785 0.85 CYP1A1 (0.38) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL19543868 0.83 DNMT1 (0.39) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL19520625 0.82 CYP2A6 (0.41) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL1145354 0.80 ALDH1A1 (0.44) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL8278659 0.80 ALDH1A1 (0.44) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL24758928 0.75 CYP2A6 (0.46) CYP2A6ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL23824812 0.74 ALDH1A1 (0.39) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL4123823 0.72 CYP2A6 (0.54) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL19520624 0.69 ALDH1A1 (0.41) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL22750714 0.69 PTPN22 (0.50) CYP2A6TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 — — US disclosed
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 — — US disclosed
US-9123902-B2 Semiconductor compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-01 — — US disclosed
US-20120205630-A1 SEMICONDUCTOR COMPOUND XEROX CORPORATION (US) 2012-08-16 — — US disclosed
US-20120205630-A1 SEMICONDUCTOR COMPOUND XEROX CORPORATION (US) 2012-08-16 — — US disclosed
US-20120205630-A1 SEMICONDUCTOR COMPOUND XEROX CORPORATION (US) 2012-08-16 — — 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 (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-20120205630-A1 SEMICONDUCTOR COMPOUND TTLL12, TST, TTL CYP2A6 1416/4885TSHR 936/4885ALDH1A1 3864/4885

“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.

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