SCHEMBL580495

SCHEMBL580495

COc1ccc(C(C)(C)C)cc1CC[C@H](O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
ADRB2 P07550 1/20 0.43
TACR1 P25103 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTR1A P08908 1/20 0.40
NSD2 O96028 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.40
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38
CTSA P10619 3/20 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
SCHEMBL580491 0.80 ADRB2 (0.50) ADRB2MEN1KMT2AHTR1ANSD2
SCHEMBL579636 0.80 ADRB2 (0.50) ADRB2MEN1KMT2AHTR1ANSD2
SCHEMBL5200536 0.77 ADRB2 (0.50) ADRB2HTR1AKDM4EALDH1A1
SCHEMBL580494 0.76 ABCB1 (0.44)
SCHEMBL30849679 0.74 RIPK1 (0.54) RIPK1TACR1MEN1KMT2AHTR1A
SCHEMBL14839518 0.74 RIPK1 (0.54) RIPK1TACR1MEN1KMT2AHTR1A
SCHEMBL10961574 0.74 GABRA1 (0.46) TACR1MEN1KMT2AALDH1A1HTT
SCHEMBL11169196 0.73 TACR1 (0.46) TACR1CYP2D6
SCHEMBL580496 0.72 CYP1A2 (0.43) MEN1KMT2AHTTCTSA
SCHEMBL579703 0.72 CYP1A2 (0.43) MEN1KMT2AHTTCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 RIPK1 4248/4885ADRB2 11/4885TACR1 138/4885

“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.