SCHEMBL5454978

SCHEMBL5454978

COCc1cc(COC)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
PKM P14618 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.45
MRGPRX4 Q96LA9 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 2/20 0.44

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
SCHEMBL17395798 0.96 BRD4 (0.50) BRD4CREBBPPKMCA12CA1
SCHEMBL5451013 0.90 CA12 (0.56) BRD4CREBBPPKMCA12CA1
SCHEMBL30694770 0.87 BRD4 (0.45) BRD4CREBBPPKMCA12CA1
SCHEMBL25369619 0.87 BRD4 (0.45) BRD4CREBBPPKMCA12CA1
SCHEMBL4651610 0.87 CA12 (0.50) BRD4CREBBPCA12CA1CA2
SCHEMBL27721005 0.85 TPMT (0.40) BRD4CREBBPPKMCA12CA1
SCHEMBL6017515 0.84 UNG (0.43) BRD4CREBBPPKMCA12CA1
SCHEMBL4652562 0.82 CYP2C9 (0.55) BRD4CREBBPCA12CA1CA2
SCHEMBL23978213 0.82 TP53 (0.47) TP53SMN1; SMN2POLBTDP1TPMT
SCHEMBL15123387 0.82 BRD4 (0.40) BRD4CREBBPPKMCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE WISYS TECHNOLOGY FOUNDATION 2007-12-20 US disclosed
CN-1319959-C Hydroxystilbene, stilbene derivatives and analogues thereof for anti-inflammatory treatment of psoriasis and inhibition of protein kinase CHEN GENHUI (CN) 2007-06-06 CN disclosed
CN-1407978-A Anti-inflammatory, psoriasis treatment and protein kinase inhibition using hydroxystilbenes, novel stilbene derivatives and analogues thereof GENHUI CHEN (CA) 2003-04-02 CN 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-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 BRD4 438/4885CREBBP 3175/4885PKM 4657/4885

“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.