SCHEMBL2277951

SCHEMBL2277951

O=C(O)c1cccc(Cc2ccc3cc[nH]c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
ENPP2 Q13822 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NLRP3 Q96P20 3/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
FOLH1 Q04609 1/20 0.47
MAPK14 Q16539 1/20 0.46
PLA2G2A P14555 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
FAAH O00519 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
BACE1 P56817 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43

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
SCHEMBL2275779 0.89 CTNNB1 (0.52) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2278323 0.84 LOXL2 (0.52) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2273424 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL7504545 0.81 BACE1 (0.48) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2273925 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL70351 0.79 FOLH1 (0.70) CA1CA2CA9FOLH1PLA2G2A
SCHEMBL30791058 0.79 FOLH1 (0.70) CA1CA2CA9FOLH1PLA2G2A
SCHEMBL2277902 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2277469 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL50542 0.78 ALDH1A1 (1.00) KDM4EALDH1A1HPGDENPP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US claimed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US claimed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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 (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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS KDM4E 2977/4885ALDH1A1 3269/4885HPGD 2637/4885

“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.