SCHEMBL4915037

SCHEMBL4915037

CC(C)OCCCCCC=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL25338044 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL5258381 0.98 TSHR (0.42) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL10657097 0.95 TSHR (0.41) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL13245112 0.91
SCHEMBL25223615 0.88 HIF1A (0.41) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL28798179 0.81 ALDH1A1 (0.44) ALDH1A1CNR1CNR2
SCHEMBL18215215 0.81 TSHR (0.46) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL3304850 0.80
SCHEMBL5159311 0.80 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2
SCHEMBL13864131 0.80 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2

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-11242362-B2 Phosphazene compound, preparation method and use thereof QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-08 US disclosed
US-20190315786-A1 PHOSPHAZENE COMPOUND, PREPARATION METHOD AND USE THEREOF QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-3978097-A INSECTICIDES, MITICIDES SANDOZ LTD. (CH) 1976-08-31 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 (3 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885FAAH 3283/4885TRPV1 284/4885
US-20190315786-A1 PHOSPHAZENE COMPOUND, PREPARATION METHOD AND USE THEREOF PHOSPHO1, WEE1, PLCB1 TSHR 2407/4885FAAH 908/4885TRPV1 3736/4885
US-11242362-B2 Phosphazene compound, preparation method and use thereof PHOSPHO1, WEE1, PLCB1 TSHR 2407/4885FAAH 908/4885TRPV1 3736/4885

“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.