SCHEMBL4472618

SCHEMBL4472618

COc1c(C)cc(NC2(CC(=O)O)CCC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LPAR1 Q92633 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CTSL P07711 1/20 0.32

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
SCHEMBL4462432 0.87 ALDH1A1 (0.49) ALDH1A1TAS1R3TAS1R1KMT2ASMN1; SMN2
SCHEMBL9361371 0.66 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AL3MBTL1SMN1; SMN2
SCHEMBL8382704 0.64 ALDH1A1 (0.66) ALDH1A1HPGDKMT2ASMN1; SMN2GAA
SCHEMBL9255856 0.62 ALDH1A1 (0.53) ALDH1A1TAS1R3TAS1R1TSHRKMT2A
SCHEMBL15461462 0.62 CYP2C19 (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL287411 0.62 THRB (0.49) ALDH1A1TSHRGAATDP1KDM4E
SCHEMBL16625291 0.62 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TSHRKMT2A
SCHEMBL23895993 0.61 CYP2C19 (0.40) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1825623 0.61 CYP2C19 (0.45) ALDH1A1HPGDTSHRKMT2ASMN1; SMN2
SCHEMBL312132 0.61 TPMT (0.55) ALDH1A1TAS1R3TAS1R1HPGDKMT2A

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-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 — — US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 — — EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 — — WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 — — 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 ALDH1A1 169/4885TAS1R3 2924/4885TAS1R1 2680/4885

“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.

Send feedback