SCHEMBL21451935

SCHEMBL21451935

OC1CCCCC1c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
EPHX1 P07099 1/20 0.43
NOTUM Q6P988 2/20 0.38
PDE3A Q14432 1/20 0.35
SLC18A3 Q16572 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDR P35968 2/20 0.32
BRAF P15056 1/20 0.32
TRPA1 O75762 1/20 0.32
GRIN2B Q13224 1/20 0.32
CSF1R P07333 1/20 0.32
CXCR2 P25025 1/20 0.31

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
SCHEMBL1138349 0.78 AR (0.64) ARNOTUMKDR
SCHEMBL5556240 0.77 SLC6A3 (0.47) AR
SCHEMBL1138501 0.76 AR (0.47) AREPHX1GRIN2B
SCHEMBL21452169 0.74 AR (0.46) AREPHX1NOTUMHSD11B1GRIN2B
SCHEMBL21452589 0.73 AR (0.39) AREPHX1NOTUMGRIN2B
SCHEMBL31513755 0.73 AR (0.43) AREPHX1GRIN2B
SCHEMBL31513808 0.73 AR (0.43) AREPHX1GRIN2B
SCHEMBL21451936 0.73 EPHX1 (0.44) EPHX1NOTUMPDE3AHTR2AHTR2C
SCHEMBL31342061 0.71 HTR2C (0.47) NOTUMPDE3ASLC18A3HTR2AHTR2C
SCHEMBL21452433 0.70 NR3C1 (0.47) AR

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
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT AR 1775/4885EPHX1 721/4885NOTUM 5/4885

“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.