SCHEMBL2277902

SCHEMBL2277902

COc1cc(Cc2ccc3cc[nH]c3c2)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ENPP2 Q13822 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOA P21397 1/20 0.43
ABL1 P00519 1/20 0.41
GHSR Q92847 2/20 0.40
CALM1 P0DP23 1/20 0.40
APP P05067 2/20 0.40
MAPT P10636 2/20 0.40
TYMS P04818 1/20 0.40
BACE1 P56817 1/20 0.40
PTPN5 P54829 1/20 0.39
ESR1 P03372 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL2273424 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2277951 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL28452547 0.79 MEN1 (0.67) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL2278034 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2278323 0.75 LOXL2 (0.52) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL28598360 0.72 RXRA (0.62) KDM4EALDH1A1POLBCALM1PTPN5
SCHEMBL4181971 0.72 MEN1 (0.57) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL729645 0.72 RXRA (0.54) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL11818181 0.72 MRGPRX4 (0.49) HPGDMEN1KMT2ACALM1AKR1C3
SCHEMBL2273925 0.71 KDM4E (0.61) 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 4 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-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.