SCHEMBL22912376

SCHEMBL22912376

CCS(CC(C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.46
▸ HSD11B1 P28845 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34

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
SCHEMBL4457201 0.81 PSIP1 (0.59) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6
SCHEMBL2446368 0.76 PSIP1 (0.60) PSIP1HSD11B1ALDH1A1HTR6TDP1
SCHEMBL22866376 0.73 PSIP1 (0.50) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6
SCHEMBL21186486 0.73 PSIP1 (0.39) PSIP1HSD11B1ALDH1A1HTR6TDP1
SCHEMBL22769563 0.67 PKM (0.52) HSD11B1ALDH1A1NPSR1CA4
SCHEMBL2446758 0.67 PSIP1 (0.59) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6
SCHEMBL4618662 0.66 PSIP1 (0.59) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6
SCHEMBL22147220 0.65 HTR6 (0.55) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6
SCHEMBL25083084 0.65 PSIP1 (0.41) PSIP1SMN1; SMN2ALDH1A1HTR6CYP2C19
SCHEMBL23195341 0.65 PSIP1 (0.52) PSIP1HSD11B1SMN1; SMN2ALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332583-B2 Polyolefin-polydiorganosiloxane block copolymer and hydrosilylation reaction method for the synthesis thereof DOW SILICONES CORPORATION (US) 2022-05-17 — — US disclosed
EP-3241250-B1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2022-01-05 — — EP disclosed
US-20210184299-A1 POUCH EXTERIOR MATERIAL FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING SAME LG CHEM, LTD. (KR) 2021-06-17 — — US disclosed
US-20210017195-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY DOW GLOBAL TECHNOLOGIES LLC (US) 2021-01-21 — — US disclosed
US-20210002431-A1 POLYOLEFIN-POLYDIORGANOSILOXANE BLOCK COPOLYMER AND HYDROSILYLATION REACTION METHOD FOR THE SYNTHESIS THEREOF DOW SILICONES CORP (US) 2021-01-07 — — 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-20210017195-A1 PROCESS FOR FUNCTIONALIZATION OF ORGANO-ZINC COMPOUNDS WITH HALOSILANES USING BASIC NITROGEN CONTAINING HETEROCYCLES AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY ZRANB2, NISCH, ZKSCAN2 PSIP1 1036/4885HSD11B1 1405/4885SMN1; SMN2 1711/4885

“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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