SCHEMBL3408619

SCHEMBL3408619

O=C(O)Cc1cccc(C2(O)CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
RXRB P28702 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRL1 P41146 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL3411926 0.82 SLC7A5 (0.47) OPRL1CYP4F2CYP4A11POLBGAA
SCHEMBL9010998 0.77 ALDH1A1 (0.53) CYP1A2CYP2C19HPGDTSHRHIF1A
SCHEMBL9011241 0.76 NOS2 (0.53) KDM4ELMNAGAAALDH1A1
SCHEMBL9011281 0.75 NPC1 (0.56) OPRL1KDM4ELMNAGAAMAPT
SCHEMBL70565 0.74 AKR1B1 (0.71) AKR1B1RXRBCYP1A2CYP2C19POLB
SCHEMBL3161976 0.73 HSD11B1 (0.42) OPRL1CYP4F2CYP4A11POLBTSHR
Ethylbenzene SCHEMBL27636949 0.73 HSD11B1 (0.48) OPRL1CYP4F2CYP4A11POLBOPRM1
SCHEMBL13959262 0.73 SIGMAR1 (0.42) CYP1A2CYP2C19OPRL1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL8922940 0.72 AKR1B1 (0.68) AKR1B1RXRBCYP1A2CYP2C19POLB
SCHEMBL17481954 0.72 AKR1B1 (0.47) AKR1B1RXRBCYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS AKR1B1 224/4885RXRB 900/4885CYP1A2 286/4885

“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.