SCHEMBL11974005

SCHEMBL11974005

O=C1OC(=O)[C@H]2C3C=CC(O3)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
PPM1B O75688 1/20 0.44
LMNA P02545 1/20 0.44
PPP1CC P36873 1/20 0.44
TFPI2 P48307 1/20 0.44
RAB9A P51151 1/20 0.44
PPP5C P53041 1/20 0.44
PPP1CA P62136 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
ATM Q13315 2/20 0.42
ALDH1A1 P00352 7/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL18022167 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL236916 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL236915 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL14544814 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL1109690 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL1105712 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL16408467 1.00 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL17732449 0.84 ATM (0.36) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12213098 0.84 ATM (0.36) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL21509276 0.73 KDM4E (0.36) KDM4EGMNNPPM1BLMNAPPP1CC

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-8445611-B2 Antimicrobial polymers UNIVERSITY OF MASSACHUSETTS (US) 2013-05-21 US disclosed
US-20120195849-A1 ANTIMICROBIAL POLYMERS MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2012-08-02 US 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 (2 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC KDM4E 3963/4885GMNN 3067/4885PPM1B 364/4885
US-20120195849-A1 ANTIMICROBIAL POLYMERS CGAS, NOD2, NLRP1 KDM4E 4702/4885GMNN 407/4885PPM1B 3481/4885

“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.