SCHEMBL16452871

SCHEMBL16452871

COCOc1cc(CO)cc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.46
HTR1A P08908 5/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
HTR1B P28222 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 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
SCHEMBL6862874 0.85 RHEB (0.48) RHEBHTR1AALOX15TSHRCYP1A2
SCHEMBL6872834 0.78 RHEB (0.48) RHEBDRD4DRD3ALDH1A1DRD2
SCHEMBL16450047 0.77 TUBB4A (0.40) LMNAKMT2AEGFRTUBB4ATUBB
SCHEMBL11450500 0.75 HTR1A (0.47) RHEBHTR1AALOX15TSHRCYP1A2
SCHEMBL11451085 0.75 RHEB (0.42) RHEBTSHRCYP1A2CYP3A4LMNA
SCHEMBL11460034 0.73 ADRB2 (0.67) HTR1AALOX15TSHRHSD17B10CYP1A2
SCHEMBL15297323 0.73 HSD17B2 (0.43) HSD17B10LMNAKDM4ETP53MAPK1
SCHEMBL25080566 0.73 RHEB (0.50) RHEBALOX15HSD17B10KDM4EGLA
SCHEMBL11457356 0.72 ADRB2 (0.48) HTR1AALOX15TSHRCYP1A2CYP3A4
SCHEMBL23202761 0.72 HSD17B10 (0.41) ALOX15TSHRHSD17B10THRBHTR2C

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-9428493-B2 Schweinfurthin analogues UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-30 US disclosed
US-20150045404-A1 SCHWEINFURTHIN ANALOGUES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-02-12 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-20150045404-A1 SCHWEINFURTHIN ANALOGUES HRH4, HRH1, SUCNR1 RHEB 1413/4885HTR1A 424/4885ALOX15 3276/4885

“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.