SCHEMBL1333232

SCHEMBL1333232

Fc1ccc(C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
HTR2B P41595 1/20 0.58
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
LRRK2 Q5S007 3/20 0.49
MRGPRX4 Q96LA9 6/20 0.49
PTGER1 P34995 2/20 0.48
PTPN1 P18031 2/20 0.46
PTPN6 P29350 2/20 0.46
PTPN2 P17706 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL31020080 0.83 RXRA (0.57) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL12167392 0.83 HTR2C (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL17305160 0.83 HTR2C (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL30573038 0.83 HTR2C (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL5730837 0.83 HTR2C (0.60) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL3918382 0.83 HTR2C (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL538233 0.83 RXRA (0.57) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1332171 0.81 HTR2C (0.59) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1331639 0.81 HTR2C (0.58) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL18703359 0.81 MRGPRX4 (0.61) HTR2CSLC6A4HTR2BRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461635-B Phenylpiperazine derivatives and its application method and purposes 乳源瑶族自治县大众药品贸易有限公司 2018-06-08 CN disclosed
CN-105461635-A Phenylpiperazine derivatives, using method thereof and uses of the derivatives RUYUAN YAO AUTONOMOUS COUNTY DAZHONG MEDICINE TRADE CO LTD 2016-04-06 CN disclosed
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 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 (2 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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 HTR2C 119/4885SLC6A4 2808/4885HTR2B 234/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN HTR2C 325/4885SLC6A4 1152/4885HTR2B 910/4885

“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.