SCHEMBL3536741

SCHEMBL3536741

Nc1ccc(-c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.57
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SCN5A Q14524 1/20 0.41
KIF11 P52732 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 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
SCHEMBL111632 0.93 ALDH1A1 (0.50) DRD1TDP1CYP3A4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4318284 0.91 ALDH1A1 (0.48) DRD1TDP1CYP3A4ALDH1A1TSHR
SCHEMBL13264261 0.88 DRD1 (0.68) DRD1ALDH1A1SCN5AMEN1LMNA
SCHEMBL8365619 0.81 MAOA (0.53) DRD1CYP3A4TAAR1MEN1MAOA
SCHEMBL11065049 0.80 DRD1 (0.56) DRD1ALDH1A1TP53SCN5AMEN1
SCHEMBL7759036 0.79 DRD1 (0.59) DRD1ALDH1A1SCN5AMEN1PKM
SCHEMBL31125249 0.78 ALDH1A1 (0.48) DRD1TDP1CYP3A4ALDH1A1TP53
SCHEMBL21044243 0.78 PRMT5 (0.49) DRD1TDP1CYP3A4ALDH1A1TP53
SCHEMBL9061683 0.77 DRD1 (0.57) DRD1TDP1ALDH1A1TP53TSHR
SCHEMBL9060628 0.77 DRD1 (0.57) DRD1CYP3A4ALDH1A1TSHRSCN5A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 DRD1 444/4885TDP1 4376/4885CYP3A4 220/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 DRD1 477/4885TDP1 4592/4885CYP3A4 157/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 DRD1 418/4885TDP1 4449/4885CYP3A4 219/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 DRD1 424/4885TDP1 4413/4885CYP3A4 220/4885

“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.