SCHEMBL3761372

SCHEMBL3761372

C=Cc1ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMPD1 P17405 3/20 0.43
FDPS P14324 2/20 0.42
HPGD P15428 3/20 0.41
PRKCD Q05655 2/20 0.41
MAPT P10636 2/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
MAPKAPK2 P49137 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
SCHEMBL8664905 0.92 FDPS (0.54) ALDH1A1SMN1; SMN2SMPD1FDPSHPGD
SCHEMBL685024 0.91 SMPD1 (0.40) ALDH1A1SMN1; SMN2TDP1SMPD1FDPS
SCHEMBL685022 0.90 FDPS (0.41) ALDH1A1SMN1; SMN2TDP1SMPD1FDPS
SCHEMBL15899460 0.87 TLR8 (0.40) ALDH1A1HPGDPRKCDMAPTCHUK
SCHEMBL1967921 0.87 TLR8 (0.40) ALDH1A1HPGDPRKCDMAPTCHUK
SCHEMBL15899585 0.87 TLR8 (0.40) ALDH1A1HPGDPRKCDMAPTCHUK
SCHEMBL8196809 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1FDPSHPGD
SCHEMBL13620057 0.86 THRA (0.40) ALDH1A1SMN1; SMN2SMPD1PRKCDMAPT
SCHEMBL685626 0.86 TRPA1 (0.57) ALDH1A1SMPD1PRKCDPRKCEPRKCQ
SCHEMBL13933046 0.85 TOP2A (0.50) SMPD1CNR2

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-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 ALDH1A1 2421/4885SMN1; SMN2 1452/4885TDP1 1699/4885

“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.