SCHEMBL16809331

SCHEMBL16809331

CCOc1ccc2c(c1)oc1cc3c(cc12)oc1cc(OCC)ccc13

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 1/20 0.56
CYP1A2 P05177 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NQO1 P15559 1/20 0.48
CCR4 P51679 1/20 0.47

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
SCHEMBL16806166 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL10647142 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL15003206 0.85 CYP1A2 (0.62) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL16810166 0.84 CYP1A2 (0.53) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL12240938 0.79 CYP1A2 (0.55) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL6519242 0.79 MAOA (0.70) ALDH1A1KDM4EHPGDCYP1A2MEN1
SCHEMBL16806201 0.79 XDH (0.61) ALDH1A1CA12CA1CA4CA6
SCHEMBL13513219 0.78 KDM4E (0.56) ALDH1A1KDM4EHPGDCYP1A2MEN1
SCHEMBL26743702 0.78 HPGD (0.78) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL16807626 0.77 CYP1A2 (0.47) ALDH1A1KDM4EHPGDGAACYP1A2

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-9714253-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2017-07-25 US disclosed
US-20150166561-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-06-18 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-20150166561-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL TRMT1L, APOL1, TLL1 ALDH1A1 3732/4885KDM4E 2184/4885HPGD 4878/4885

“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.