SCHEMBL21452500

SCHEMBL21452500

NC1(c2ccc(F)cc2C(F)(F)F)CCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
HDAC4 P56524 2/20 0.35
IDO1 P14902 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
AR P10275 2/20 0.33
P2RX7 Q99572 2/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL23595847 0.81 HDAC4 (0.51) KDM1AHDAC4
SCHEMBL21452547 0.81 HDAC4 (0.51) KDM1AHDAC4
SCHEMBL23595809 0.81 HDAC4 (0.51) KDM1AHDAC4
SCHEMBL21452498 0.81 HDAC4 (0.35) HDAC4IDO1HDAC6AR
SCHEMBL24815346 0.80 HDAC4 (0.51) KDM1AHDAC4TNKSTNKS2
SCHEMBL21452476 0.78 PDE7A (0.42) HDAC4IDO1
SCHEMBL27173416 0.77 GRIN1 (0.40) KDM1AHDAC4
SCHEMBL21452063 0.76 P2RX7 (0.38) ARP2RX7TRPA1
SCHEMBL21452475 0.76 HDAC1 (0.45) KDM1AHDAC6AR
Hydrochloric Acid SCHEMBL21436269 0.76 P2RX7 (0.38) IDO1ARP2RX7TRPA1

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 KDM1A 3700/4885HDAC4 2874/4885IDO1 922/4885

“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.