SCHEMBL21451920

SCHEMBL21451920

O=C1CCCCC1c1cc(Cl)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
PKM P14618 1/20 0.37
TLR4 O00206 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR Q13258 3/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
OPRL1 P41146 2/20 0.35
NPC1 O15118 1/20 0.35
SIRT1 Q96EB6 3/20 0.34
PTGER2 P43116 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
PGR P06401 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL19993831 0.89 OPRL1 (0.42) KMT2AMEN1PKMTLR4KDM4E
SCHEMBL1617555 0.85 HTR1A (0.39) KMT2AMEN1PKMTLR4KDM4E
SCHEMBL1615804 0.85 MEN1 (0.47) KMT2AMEN1TLR4PTGDR2NPC1
SCHEMBL1617634 0.84 HTR1A (0.38) KMT2AMEN1PKMTLR4KDM4E
SCHEMBL1617475 0.82 GAA (0.47) KMT2AMEN1PKM
SCHEMBL23001567 0.81 OPRL1 (0.37) KMT2AOPRL1
SCHEMBL19993853 0.79 HTR2A (0.40) TLR4HPGDOPRL1NPC1
SCHEMBL4918535 0.79 TP53 (0.46) KMT2AMEN1KDM4EMAPTHPGD
SCHEMBL9649037 0.79 KMT2A (0.56) KMT2AMEN1PKMKDM4EMAPT
SCHEMBL10356725 0.78 KDM4E (0.45) KMT2AMEN1TLR4KDM4EMAPT

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 KMT2A 3565/4885MEN1 524/4885PKM 1286/4885

“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.