SCHEMBL16805948

SCHEMBL16805948

CC(C)CC(N)c1cccc(OCCCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 5/20 0.50
▸ CYSLTR1 Q9Y271 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ FFAR4 Q5NUL3 3/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.42

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
SCHEMBL15245051 0.87 CYSLTR2 (0.55) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL16805947 0.85 LMNA (0.54) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL16805950 0.84 L3MBTL1 (0.46) ALDH1A1FFAR4FFAR1HPGD
SCHEMBL20231598 0.84 KDM4E (0.65) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL20231599 0.79 KDM4E (0.66) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL20231594 0.79 KDM4E (0.66) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL24675410 0.78 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL24675791 0.78 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL24675411 0.78 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E
SCHEMBL24675240 0.75 CYSLTR2 (0.54) CYSLTR2CYSLTR1SMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 — — US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 — — 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR CYSLTR2 1084/4885CYSLTR1 919/4885SMN1; SMN2 1582/4885

“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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