SCHEMBL22397201

SCHEMBL22397201

O=C(O)C(CCCl)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 4/20 0.49
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
GABBR2 O75899 3/20 0.43
GABBR1 Q9UBS5 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.41
HSD17B10 Q99714 2/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL1533351 0.89 POLB (0.54) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL961245 0.89 POLB (0.50) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL909284 0.84 CYP2C19 (0.53) POLBKMT2ACYP2C19MEN1CYP2D6
SCHEMBL7830236 0.84 CYP2C19 (0.53) POLBKMT2ACYP2C19MEN1CYP2D6
SCHEMBL9231726 0.84 POLB (0.56) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL4830664 0.83 CYP2C9 (0.51) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL6344322 0.83 POLB (0.55) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL28086991 0.83 CYP2C9 (0.51) POLBKMT2ACYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL908468 0.82 CYP2C19 (0.52) POLBKMT2ACYP2C19MEN1CYP2D6
Hydrochloric Acid SCHEMBL22831450 0.81 CYP2C9 (0.50) POLBKMT2ACYP2C9CYP2C19MEN1

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
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
EP-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 POLB 2431/4885KMT2A 4436/4885CYP2C9 4028/4885

“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.