SCHEMBL487064

SCHEMBL487064

CN(C)c1cccc(S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
NOTUM Q6P988 2/20 0.39
APP P05067 2/20 0.38
TERT O14746 1/20 0.38
AURKA O14965 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL4391221 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL4978628 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTERTGFERL3MBTL1
SCHEMBL9033002 0.78 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10NPC1MAPT
SCHEMBL11638767 0.76 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15TERT
SCHEMBL26630984 0.75 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL27935334 0.74 BRD4 (0.42) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21477269 0.74 ALDH1A1 (0.36) ALDH1A1TSHRMAPT
SCHEMBL30602821 0.74 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL24503990 0.73 ALDH1A1 (0.44) ALDH1A1TSHRALOX15APPMAPT
Lithium Ion SCHEMBL3293326 0.73 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO claimed
CN-103408476-B Mono-aryl thioether compound as well as preparation method and application thereof HEBEI UNIVERSITY (CN) 2014-10-15 CN claimed
EP-1904060-B1 USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES MOLTENI & C (IT) 2011-06-01 EP claimed
CN-111303150-B High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2021-10-19 CN disclosed
US-20210292491-A1 FIBER-REINFORCED RESIN BASE MATERIAL TORAY INDUSTRIES, INC. (JP) 2021-09-23 US disclosed
EP-3825348-A1 FIBER-REINFORCED RESIN BASE MATERIAL Toray Industries, Inc. (JP) 2021-05-26 EP disclosed
CN-112334519-A Fiber-reinforced resin base material 东丽株式会社 2021-02-05 CN disclosed
EP-3048107-B1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME FUTURE INK CORP (JP) 2021-01-13 EP disclosed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 CN disclosed
US-20200140404-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 US disclosed
WO-2020017288-A1 FIBER-REINFORCED RESIN BASE MATERIAL 東レ株式会社 2020-01-23 WO disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP disclosed
EP-0834530-B1 Water resistant composition KURARAY CO (JP) 2004-09-22 EP disclosed
US-5900463-A BLEND OF A MODIFIED POLYVINYL ALCOHOL AND ADJUVANT KURARAY CO., LTD. (JP) 1999-05-04 US disclosed
EP-0834530-A1 Water resistant composition KURARAY CO., LTD. (JP) 1998-04-08 EP disclosed
US-4507480-A FOR INCORPORATION INTO LAYERED PHOTORESPONSIVE DEVICES XEROX CORPORATION (US) 1985-03-26 US disclosed
US-4471041-A Photoconductive devices containing novel squaraine compositions XEROX CORPORATION (US) 1984-09-11 US disclosed
US-4288449-A DIURETICS BASF AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
EP-0008367-A1 N-Arylsulfonyl pyrroles, their preparation and medicaments containing them BASF Aktiengesellschaft (DE) 1980-03-05 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 (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-20200140404-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES SMARCE1, SMARCD1, WDR82 ALDH1A1 4321/4885TSHR 644/4885HSD17B10 4140/4885

“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.