SCHEMBL599423

SCHEMBL599423

CCCCc1cc(C(=O)OC)c(CCCC)c2cc3c(CCCC)c4cc5ccccc5cc4c(CCCC)c3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.42
NCEH1 Q6PIU2 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CNR2 P34972 1/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL593315 0.86 CNR2 (0.38) PLA2G2APDE3BPDE3ACNR2ALDH1A1
SCHEMBL10079141 0.83 NCEH1 (0.45) PLA2G2ANCEH1KDM4ENPSR1SMN1; SMN2
SCHEMBL592365 0.76 MEN1 (0.38) CNR2ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL1789262 0.72 ALDH1A1 (0.66) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL19094486 0.72 ALDH1A1 (0.49) PDE3BPDE3AALDH1A1KDM4ECYP1A2
SCHEMBL3806110 0.70 MAPT (0.46) ALDH1A1KDM4EHPGD
SCHEMBL27967645 0.69 CNR2 (0.42) PLA2G2ANCEH1CNR2MAPK8MAPK9
SCHEMBL20476363 0.69 ALDH1A1 (0.49) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL3728064 0.69 MAPT (0.49) ALDH1A1KDM4EHPGD
SCHEMBL16267416 0.69 NPC1 (0.42) NCEH1ALDH1A1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115197-B2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2012-02-14 US disclosed
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-09-17 US disclosed
US-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2009-06-04 US disclosed
US-20060273311-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2006-12-07 US disclosed
EP-1729357-A2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2006-12-06 EP 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 (2 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-20090140241-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 PLA2G2A 4560/4885NCEH1 1530/4885PDE3B 3670/4885
US-20090230387-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE H1-10, OR10J3, H1-0 PLA2G2A 4560/4885NCEH1 1530/4885PDE3B 3670/4885

“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.