SCHEMBL18769851

SCHEMBL18769851

Cc1ccc(CC(C)NCc2ccc(O)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.46
▸ HTR6 P50406 1/20 0.42
▸ ADRB2 P07550 9/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL18769857 0.87 OPRK1 (0.56) SIGMAR1ADRB2MAPK1OPRK1CYP3A4
SCHEMBL18769895 0.82 ADRB2 (0.58) SIGMAR1HTR6ADRB2MAPK1POLB
SCHEMBL18792143 0.81 ADRB2 (0.39) SIGMAR1HTR6ADRB2MAPK1CYP3A4
SCHEMBL18769831 0.81 ADRB2 (0.58) ADRB2MAPK1CYP3A4CYP2D6TSHR
SCHEMBL18769885 0.79 OPRK1 (0.56) SIGMAR1ADRB2MAPK1OPRK1CYP3A4
SCHEMBL18792145 0.76 CYP1A2 (0.45) SIGMAR1ADRB2POLBCYP3A4CYP2D6
SCHEMBL10005270 0.76 SIGMAR1 (0.79) SIGMAR1ADRB2MAPK1POLBOPRK1
SCHEMBL6186659 0.76 SIGMAR1 (0.79) SIGMAR1ADRB2MAPK1POLBOPRK1
Bromide SCHEMBL11717838 0.75 SIGMAR1 (0.77) SIGMAR1ADRB2MAPK1POLBOPRK1
SCHEMBL18769849 0.73 ADRB2 (0.56) ADRB2ADRB1ADRB3

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 SIGMAR1 4450/4885HTR6 2797/4885ADRB2 4152/4885

“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.

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