SCHEMBL10032064

SCHEMBL10032064

O=Cc1ccc(CCOCCF)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.37
DRD1 P21728 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
APP P05067 6/20 0.36
CYP2A6 P11509 2/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
MET P08581 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL15564992 0.83 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL28329648 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL28199238 0.80 CYP2A6 (0.42) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL16406012 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL22190239 0.76 APP (0.59) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL22190246 0.76 APP (0.59) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL4860318 0.76 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL25191403 0.75 APP (0.43) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL4173773 0.75 TSHR (0.47) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL5429778 0.75 CYP2A6 (0.50) ALDH1A1MAPTLMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487080-B2 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY (US) 2013-07-16 US disclosed
US-8124725-B2 PDGF-Rβ binders GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 US disclosed
US-7902332-B2 Reacting thiol-reactive terminus of linker with a polypeptide and fluorine-substituted aldehyde GENERAL ELECTRIC COMPANY (US) 2011-03-08 US disclosed
US-20090191124-A1 PDGF-RBeta BINDERS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US disclosed
US-20080139787-A1 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY 2008-06-12 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 (3 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-20080139787-A1 Fluorine-labeled compounds PFAS, DHFR, PAICS ALDH1A1 226/4885MAPT 2125/4885LMNA 3929/4885
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS ALDH1A1 226/4885MAPT 2125/4885LMNA 3929/4885
US-20090191124-A1 PDGF-RBeta BINDERS PDGFRB, PDGFA, PDGFRA ALDH1A1 2996/4885MAPT 3399/4885LMNA 3074/4885

“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.