SCHEMBL17065136

SCHEMBL17065136

CCCCCCCCCCCCc1ccc(C(C)Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL9030475 0.98 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL27502124 0.92 CA2 (0.48) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL9137110 0.86 HTR2A (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL8028842 0.86 HTR2A (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL4063423 0.86 HTR2A (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL17439642 0.86 HTR2A (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL16668623 0.86 HTR2A (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL9774407 0.85 LPL (0.43) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL2093653 0.84 HTR2A (0.57) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL15174540 0.84 HTR2A (0.50) HTR2AESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-19 US disclosed
EP-3114150-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-11 EP disclosed
WO-2015134591-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2015-09-11 WO disclosed
US-8980824-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-17 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-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION GLO1, TET1, RIOX2 HTR2A 3989/4885ESR1 1697/4885ADRA2A 3687/4885

“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.