SCHEMBL6161424

SCHEMBL6161424

Nc1ccc(CCC(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
ACKR3 P25106 6/20 0.45
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP19A1 P11511 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL6203033 0.91 SLC5A1 (0.55) CES2CES1SLC5A1SLC5A2ACKR3
SCHEMBL6203848 0.85 DRD2 (0.51) CES2CES1SLC5A1SLC5A2ACKR3
SCHEMBL6158144 0.78 NPC1 (0.56) SLC5A1SLC5A2RAB9ATAAR1FFAR1
SCHEMBL11847285 0.74 CES2 (0.57) CES2CES1ACKR3RAB9A
SCHEMBL31661842 0.74 CES2 (0.57) CES2CES1ACKR3POLBMEN1
SCHEMBL959448 0.74 CES2 (0.57) CES2CES1ACKR3RAB9A
SCHEMBL3527017 0.74 CES2 (0.57) CES2CES1ACKR3POLBMEN1
SCHEMBL6944180 0.74 CES2 (0.57) CES2CES1ACKR3
SCHEMBL19104747 0.73 CES2 (0.61) CES2CES1ACKR3RAB9A
SCHEMBL31529633 0.73 CES2 (0.61) CES2CES1ACKR3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 CES2 2549/4885CES1 664/4885SLC5A1 484/4885

“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.