SCHEMBL18769877

SCHEMBL18769877

CC(Cc1ccc2ccccc2c1)NCC(O)c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.70
SIGMAR1 Q99720 2/20 0.51
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTR2A P28223 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRB1 P08588 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRB3 P13945 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
MC3R P41968 1/20 0.47

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
SCHEMBL7145339 0.84 ADRB2 (0.63) ADRB2SIGMAR1CYP3A4MAPK1CYP2D6
SCHEMBL7145334 0.84 ADRB2 (0.63) ADRB2SIGMAR1CYP3A4MAPK1CYP2D6
SCHEMBL18769844 0.83 ADRB2 (0.79) ADRB2SIGMAR1CYP3A4MAPK1CYP2D6
SCHEMBL18769898 0.82 ADRB2 (0.74) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL18769840 0.82 ADRB2 (0.81) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL20180473 0.82 ADRB2 (1.00) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL7148280 0.81 ADRB1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL11088831 0.81 ADRB1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL7148275 0.81 ADRB1 (0.51) ADRB2ADRB1ADRB3
SCHEMBL18791621 0.80 ADRB2 (0.60) ADRB2SIGMAR1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US claimed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP claimed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO claimed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO 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-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES BRCA1, VHL, TP53 ADRB2 4152/4885SIGMAR1 4450/4885CYP3A4 4335/4885

“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.