SCHEMBL22211304

SCHEMBL22211304

O=C1CCCC1Cc1ccc(CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
PTGS1 P23219 10/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1784163 0.86 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169558 0.86 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169517 0.82 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL12645998 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL27604648 0.82 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9147334 0.82 PTGS1 (0.52) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9166295 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2049346 0.82 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2760385 0.82 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL4557085 0.82 PTGS2 (0.60) PTGS2PTGS1OPRK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078941-A1 Method For Preparing Substituted Phenylacetic Acid Derivative JIANGSU RUIKE MEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2021-03-18 US disclosed
EP-3680227-A1 METHOD FOR PREPARING SUBSTITUTED PHENYLACETIC ACID DERIVATIVE Jiangsu Ruike Medical Science And Technology Co., Ltd. (CN) 2020-07-15 EP 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-20210078941-A1 Method For Preparing Substituted Phenylacetic Acid Derivative ALOX5, LOXL4, CYP3A5 PTGS2 731/4885PTGS1 654/4885OPRK1 95/4885

“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.