SCHEMBL14788987

SCHEMBL14788987

O=COC1(c2ccc(-c3ccc(-c4oc5ncc(F)cc5c4NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
ROCK2 O75116 1/20 0.36
MAOA P21397 1/20 0.35
TDO2 P48775 2/20 0.34
P2RX7 Q99572 1/20 0.34
MAOB P27338 1/20 0.34
ENPP2 Q13822 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TSHR P16473 2/20 0.33
FSHR P23945 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
BTK Q06187 2/20 0.33

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
SCHEMBL14788992 0.91 MAOA (0.38) MGLLROCK2MAOAP2RX7MAOB
SCHEMBL14788990 0.91 P2RX7 (0.38) MGLLROCK2MAOATDO2P2RX7
SCHEMBL14710477 0.88 MGLL (0.43) MGLLROCK2MAOATDO2ENPP2
SCHEMBL14788989 0.85 MGLL (0.37) MGLLROCK2MAOATDO2P2RX7
SCHEMBL16556439 0.84 LPAR1 (0.47)
SCHEMBL14788983 0.84 MGLL (0.38) MGLLROCK2MAOAP2RX7MAOB
SCHEMBL14789041 0.83 MGLL (0.40) MGLLROCK2P2RX7ENPP2TSHR
SCHEMBL14788991 0.83 P2RX7 (0.38) MGLLROCK2MAOAP2RX7MAOB
SCHEMBL14788984 0.82 MAOA (0.39) MGLLROCK2MAOAMAOBTSHR
SCHEMBL14788967 0.80 LPAR1 (0.42) ENPP2

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MGLL 102/4885ROCK2 1939/4885MAOA 2268/4885

“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.