SCHEMBL19561677

SCHEMBL19561677

CCS(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.56
▸ HTR6 P50406 1/20 0.46
▸ HSD11B1 P28845 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42

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
SCHEMBL21186462 0.79 PSIP1 (0.46) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
SCHEMBL20404601 0.78 PSIP1 (0.56) PSIP1HTR6HSD11B1TDP1ALDH1A1
SCHEMBL8379447 0.78 PSIP1 (0.56) PSIP1HTR6HSD11B1TDP1ALDH1A1
SCHEMBL21656681 0.76 PSIP1 (0.42) PSIP1HTR6HSD11B1TDP1ALDH1A1
SCHEMBL21186465 0.76 PSIP1 (0.42) PSIP1HTR6HSD11B1TDP1ALDH1A1
SCHEMBL20388830 0.76 PSIP1 (0.42) PSIP1HTR6HSD11B1TDP1ALDH1A1
SCHEMBL21846605 0.76 GAA (0.52) TDP1ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL19174484 0.76 PSIP1 (0.42) PSIP1HTR6TDP1ALDH1A1SMN1; SMN2
SCHEMBL21186441 0.75 TDP1 (0.46) PSIP1TDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4457201 0.74 PSIP1 (0.59) PSIP1HTR6HSD11B1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-20230015835-A1 CURABLE PERFLUOROPOLYETHER ADHESIVE COMPOSITION AND ADHESIVE CONTAINING CURED PRODUCT THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-19 — — US disclosed
US-11118004-B2 Three-dimensional inkjet printing using ring-opening metathesis polymerization STRATASYS LTD. (IL) 2021-09-14 — — US disclosed
US-11001725-B2 Three-dimensional inkjet printing using ring-opening metathesis polymerization STRATASYS LTD. (IL) 2021-05-11 — — US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — US disclosed
US-20200325162-A1 SILYLETHYNYL HETARYL COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2020-10-15 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — US disclosed
US-20190127517-A1 THREE-DIMENSIONAL INKJET PRINTING USING RING-OPENING METATHESIS POLYMERIZATION STRATASYS LTD. (IL) 2019-05-02 — — US disclosed
US-20190048217-A1 THREE-DIMENSIONAL INKJET PRINTING USING RING-OPENING METATHESIS POLYMERIZATION STRATASYS LTD. (IL) 2019-02-14 — — US disclosed
US-20190039321-A1 DIGITALLY-CONTROLLED THREE-DIMENSIONAL PRINTING USING RING-OPENING METATHESIS POLYMERIZATION STRATASYS LTD. (IL) 2019-02-07 — — US disclosed
EP-3026056-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-11-08 — — EP disclosed
CN-102385192-B The manufacture method of cholesteric lcd display, cholesteric lcd display and aligning agent for liquid crystal JSR CO., LTD. (JP) 2016-02-10 — — CN disclosed
CN-102337140-B Liquid crystal aligning agent for retardation film, liquid crystal alignment film for retardation film, and retardation film and process for production thereof JSR CORP 2015-04-01 — — CN disclosed
CN-102385192-A Cholesteric liquid crystal display manufacturing method, cholesteric liquid crystal display and liquid crystal aligning agent JSR CORP 2012-03-21 — — CN disclosed
CN-102337140-A Liquid crystal aligning agent for retardation film, liquid crystal alignment film for retardation film, and retardation film and process for production thereof JSR CORP 2012-02-01 — — CN 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 (4 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-20200325162-A1 SILYLETHYNYL HETARYL COMPOUNDS AS NITRIFICATION INHIBITORS CYP51A1, NSFL1C, CYP3A43 PSIP1 3008/4885HTR6 1617/4885HSD11B1 85/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PSIP1 4855/4885HTR6 1965/4885HSD11B1 2806/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PSIP1 4857/4885HTR6 2008/4885HSD11B1 2916/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PSIP1 4857/4885HTR6 2008/4885HSD11B1 2916/4885

“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.

Send feedback