SCHEMBL4366829

SCHEMBL4366829

COc1ccc(C(C(=O)O)C2(O)CCCCC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
KMO O15229 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL3952394 0.85 HPGD (0.45) ALDH1A1PTGDR2
SCHEMBL3957196 0.85 ALDH1A1 (0.42) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3972623 0.85 ALDH1A1 (0.42) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3955398 0.84 SLC6A3 (0.41) LMNAALDH1A1AKR1C3AKR1C2CHRM2
SCHEMBL3972432 0.83 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3958487 0.81 MRGPRX4 (0.53) MAPTAKR1C3
SCHEMBL3955949 0.81 ACP1 (0.46) MEN1KMT2AMAPT
SCHEMBL3954437 0.79 SLC6A3 (0.40) LMNAALDH1A1AKR1C3AKR1C2
SCHEMBL4510516 0.78 SLC6A2 (0.55) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL13637842 0.78 SLC6A2 (0.55) LMNACHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 US disclosed
US-7402698-B2 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2008-07-22 US disclosed
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
CN-1897946-A 1- 2' (1, 4'-biperidin-1'-yl)-1- (phenyl) -ethyl cyclohexanol derivatives as monoamine reuptake modulators for the treatment of visomotor symptoms WYETH CORP (US) 2007-01-17 CN disclosed
CN-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN disclosed
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2005-10-20 US disclosed
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2005-09-01 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 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 (5 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-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS LMNA 2465/4885ALDH1A1 489/4885MEN1 3825/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA LMNA 1130/4885ALDH1A1 439/4885MEN1 2057/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA LMNA 667/4885ALDH1A1 559/4885MEN1 1418/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 LMNA 1227/4885ALDH1A1 1565/4885MEN1 2433/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A LMNA 1679/4885ALDH1A1 434/4885MEN1 3326/4885

“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.