SCHEMBL381345

SCHEMBL381345

COc1cccc(-c2oc(C)cc2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
MGLL Q99685 1/20 0.55
GPR35 Q9HC97 3/20 0.53
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
VDR P11473 2/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
LMNA P02545 1/20 0.47
PIN1 Q13526 1/20 0.47
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PPARD Q03181 1/20 0.46

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
SCHEMBL381172 0.94 FAAH (0.54) FAAHMGLLGPR35ALDH1A1HPGD
SCHEMBL381742 0.87 FAAH (0.55) FAAHMGLLHPGDTP53MAPT
SCHEMBL381031 0.84 ALDH1A1 (0.54) FAAHMGLLALDH1A1HPGDTP53
SCHEMBL29742792 0.77 ALDH1A1 (0.64) GPR35ALDH1A1HPGDTP53MAPT
SCHEMBL381400 0.77 ALDH1A1 (0.64) GPR35ALDH1A1HPGDTP53MAPT
SCHEMBL3552677 0.76 ALDH1A1 (0.56) GPR35ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL381413 0.75 FAAH (0.60) FAAHMGLLKDM4E
SCHEMBL1167406 0.75 PIN1 (0.57) GPR35ALDH1A1HPGDSMN1; SMN2VDR
SCHEMBL10840829 0.75 LMNA (0.52) GPR35ALDH1A1HPGDTP53MAPT
SCHEMBL28602602 0.75 DHODH (0.55) GPR35ALDH1A1HPGDSMN1; SMN2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 FAAH 151/4885MGLL 3954/4885GPR35 683/4885

“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.