SCHEMBL9898347

SCHEMBL9898347

COc1ccc2c(O)c(C)c(C(=O)O)c(-c3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.50
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK8 P45983 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BACE1 P56817 1/20 0.42
GAA P10253 1/20 0.41
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL15013474 0.82 DHODH (0.54) DHODHLMNATSHRGAA
SCHEMBL6652685 0.78 KDM4E (0.49) DHODHKDM4EALDH1A1HPGDLMNA
SCHEMBL9899175 0.77 SMN1; SMN2 (0.47) DHODHKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL28261476 0.76 KDM4E (0.50) DHODHKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL14363733 0.75 KCNA5 (0.50) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28261472 0.73 KDM4E (0.50) DHODHKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL9896760 0.72 PLA2G2A (0.53) DHODHKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13499832 0.72 KCNA5 (0.48) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9639864 0.72 GFER (0.52) KDM4EALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL9934163 0.71 BACE1 (0.45) DHODHKDM4ELMNAHSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 DHODH 352/4885KDM4E 1472/4885ALDH1A1 431/4885

“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.