SCHEMBL9728632

SCHEMBL9728632

CCCCCCCCNCCS

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
ALDH1A1 P00352 1/20 0.68
ESR1 P03372 1/20 0.50
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
EPHX1 P07099 4/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL21385750 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL11174253 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL10705530 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL8230983 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL10613480 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL8414687 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL25475062 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
SCHEMBL7904756 1.00 TSHR (0.68) TSHRALDH1A1ESR1S1PR2S1PR4
Hydrochloric Acid SCHEMBL27927808 0.97 TSHR (0.65) TSHRALDH1A1ESR1S1PR2S1PR4
Hydrochloric Acid SCHEMBL28056751 0.97 TSHR (0.65) TSHRALDH1A1ESR1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61145547-A None JP disclosed
CN-114829433-A Block copolymer, resin composition, stretchable conductor, electronic component, and adhesive film 东洋油墨SC控股株式会社 2022-07-29 CN disclosed
WO-2021117723-A1 BLOCK COPOLYMER, RESIN COMPOSITION, STRETCH CONDUCTOR, ELECTRONIC DEVICE, AND PRESSURE-SENSITIVE ADHESIVE FILM 東洋インキSCホールディングス株式会社 2021-06-17 WO disclosed
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
US-10005088-B2 Flotation of sphalerite from mixed base metal sulfide ores either without or with largely reduced amount of copper sulfate addition using 2-(alkylamino)ethanethiols as collectors LAKEHEAD UNIVERSITY (CA) 2018-06-26 US disclosed
US-20170209873-A1 FLOTATION OF SPHALERITE FROM MIXED BASE METAL SULFIDE ORES EITHER WITHOUT OR WITH LARGELY REDUCED AMOUNT OF COPPER SULFATE ADDITION USING 2-(ALKYLAMINO)ETHANETHIOLS AS COLLECTORS LAKEHEAD UNIVERSEITY (CA) 2017-07-27 US disclosed
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed
JP-S61145547-A SILVER HALIDE PHOTOGRAPHIC SENSITIVE MATERIAL FOR PLATE MAKING AND ITS REDUCTION PROCESSING METHOD KONISHIROKU PHOTO IND CO LTD 1986-07-03 JP disclosed
EP-0164987-A2 7-Oxabicycloheptane substituted prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1985-12-18 EP disclosed
US-4555523-A 7-Oxabicycloheptane substituted thio prostaglandin analogs and their use in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-11-26 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-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 TSHR 4222/4885ALDH1A1 529/4885ESR1 3398/4885

“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.