SCHEMBL18769891

SCHEMBL18769891

Cc1ccc(CC(C)NCC(O)c2ccc(O)c(O)c2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.55
▸ ADRB3 P13945 8/20 0.54
▸ ADRB1 P08588 7/20 0.54
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ TSHR P16473 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ MTOR P42345 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL18769831 0.87 ADRB2 (0.58) ADRB2ADRB3ADRB1TSHRMAPK1
SCHEMBL18769861 0.86 ADRB2 (0.63) ADRB2ADRB3ADRB1KDM4ETSHR
SCHEMBL18769849 0.85 ADRB2 (0.56) ADRB2ADRB3ADRB1
SCHEMBL18769883 0.85 ADRB2 (0.74) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL18769904 0.79 ADRB2 (0.48) ADRB2ADRB3ADRB1
SCHEMBL11807907 0.79 ADRB2 (0.74) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL7149088 0.79 ADRB2 (0.74) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL7149089 0.79 ADRB2 (0.74) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL7154315 0.76 ADRB2 (0.68) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL7154320 0.76 ADRB2 (0.68) ADRB2ADRB3ADRB1MAPTKDM4E

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 4152/4885ADRB3 3370/4885ADRB1 3654/4885

“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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