SCHEMBL4661245

SCHEMBL4661245

CC(C)(C=O)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP2C9 P11712 2/20 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
SCHEMBL25218246 0.82 KMT2A (0.44) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL7042751 0.82 HPGD (0.39) CYP3A4CYP2D6KMT2AMEN1TSHR
SCHEMBL111724 0.81 ALDH1A1 (0.47) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL1216706 0.81 TSHR (0.47) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL1698031 0.81 TSHR (0.53) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL3159903 0.80 AOC3 (0.44) HPGDLMNAKDM4ETAAR1L3MBTL1
SCHEMBL7043843 0.80 LOXL2 (0.40) CYP3A4CYP2D6TSHRBLMHPGD
SCHEMBL7450074 0.79 TSHR (0.46) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL11043374 0.79 TSHR (0.46) CYP3A4CYP2D6KMT2AMEN1USP2
SCHEMBL27773246 0.79 MAPT (0.46) CYP3A4CYP2D6KMT2AMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
CN-1040753-C Pyridine derivatives and the preparation thereof ICI PLC (GB) 1998-11-18 CN disclosed
US-5401849-A FOR ANTAGONIZING THE ACTIONS OF, AND INHIBITING THE SYNTHESIS OF, THROMBOXANE A2 ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
US-4994480-A Protecting plants, industrial materials BAYER AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0338344-A2 Substituted triazolyl methyl carbinoles BAYER AG (DE) 1989-10-25 EP disclosed
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 CYP3A4 3981/4885CYP2D6 3192/4885KMT2A 4319/4885

“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.