SCHEMBL308422

SCHEMBL308422

CCOc1cc(C(=O)O)cc2c1ccn2C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 3/20 0.39
CASP6 P55212 1/20 0.39
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
GLA P06280 1/20 0.37
LMNA P02545 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
RXRA P19793 1/20 0.37
HNF4A P41235 1/20 0.37
GAA P10253 3/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL309329 0.86 HSD17B10 (0.36) LMNAGAAHSD17B10SMN1; SMN2HPGD
SCHEMBL308481 0.86 CA12 (0.44) TSHRALOX15HTTLMNAKMT2A
SCHEMBL733323 0.84 KDM4E (0.46) TSHRHTTLMNAGAAHSD17B10
SCHEMBL309993 0.80 TSHR (0.38) TSHRALOX15GAAHSD17B10MEN1
SCHEMBL19579750 0.79 TSHR (0.48) TSHRPOLBCASP6ALOX15HTT
SCHEMBL308949 0.79 HSD17B2 (0.48) POLBHTTLMNAGAAMEN1
SCHEMBL309464 0.78 TSHR (0.47) TSHRPOLBCASP6ALOX15HTT
SCHEMBL308824 0.77 ALDH1A1 (0.38) POLBALOX15HTTLMNAHSD17B10
SCHEMBL1501711 0.77 KDM4E (0.39) POLBLMNAGAAHSD17B10L3MBTL1
SCHEMBL308415 0.77 ACACB (0.40) TSHRPOLBCASP6ALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088689-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 TSHR 283/4885POLB 2745/4885CASP6 1975/4885

“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.