SCHEMBL21895250

SCHEMBL21895250

CCCCCC(C)C(CCCCC)c1cccc2nsnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HTT P42858 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ATM Q13315 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.33

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
SCHEMBL18885140 0.80 SMN1; SMN2 (0.40) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL21142427 0.77 MAPT (0.43) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL24936781 0.73 HSD17B10 (0.46) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL982872 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL986005 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL980381 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL985318 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL983685 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL984099 0.68 TSHR (0.49) TSHRALDH1A1HTTPOLBLMNA
SCHEMBL19478610 0.67 MAPT (0.46) TSHRALDH1A1HTTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 — — US disclosed
US-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-03-19 — — 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 (2 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-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF ENY2, AHR, PAH TSHR 1119/4885ALDH1A1 974/4885HTT 2086/4885
US-11773052-B2 Enamine compound and use thereof ENY2, AHR, PAH TSHR 1119/4885ALDH1A1 974/4885HTT 2086/4885

“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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