SCHEMBL24065682

SCHEMBL24065682

CC(C)(C)c1ccc2c(c1)OCC(CC(C)(C)c1ccc3c(c1)OCO3)O2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 2/20 0.38
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AIMP2 Q13155 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
SCHEMBL18910392 0.97 ALDH1A1 (0.41) ALDH1A1HRH3HTTNPSR1ADRB2
SCHEMBL23512913 0.87 HRH3 (0.38) HRH3CYP19A1LMNARAB9A
SCHEMBL26315521 0.85 HRH3 (0.53) ALDH1A1HRH3HTTNPSR1CYP19A1
SCHEMBL22071369 0.84 KDM4E (0.41) HRH3CYP19A1MAPTTRPV1NPC1
SCHEMBL24634304 0.82 HRH3 (0.37) HRH3CYP19A1LMNAMAPTNPC1
SCHEMBL26315400 0.80 HRH3 (0.38) HRH3CYP19A1LMNAMAPTNPC1
SCHEMBL22663605 0.80 RAB9A (0.46) ALDH1A1NPSR1LMNAMAPTNPC1
SCHEMBL9869995 0.79 HRH3 (0.42) HRH3HTTCYP19A1LMNAMAPT
SCHEMBL30567467 0.78 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNAHSP90AA1
SCHEMBL85405 0.78 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 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-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 ALDH1A1 2287/4885HRH3 1225/4885HTT 102/4885

“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.