SCHEMBL16985115

SCHEMBL16985115

CCCCCCOc1ccc2c(c1)oc1ccc3c(ccc4oc5cc(CCCOCCC)ccc5c43)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL16985111 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16806142 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16985122 0.86 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16806167 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16806143 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16806118 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16981573 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16807691 0.84 CA12 (0.41) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16985130 0.84 CYP3A4 (0.45) ALDH1A1MAPK1SMN1; SMN2MEN1USP2
SCHEMBL16985139 0.83 MEN1 (0.49) ALDH1A1MAPK1SMN1; SMN2MEN1USP2

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-9447111-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2016-09-20 — — US disclosed
US-20150218184-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-08-06 — — 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-20150218184-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL POF1B, L1CAM, SLCO2A1 ALDH1A1 2961/4885MAPK1 2321/4885SMN1; SMN2 879/4885

“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.

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