SCHEMBL16721027

SCHEMBL16721027

OC(CCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.52
METAP1 P53582 2/20 0.52
ACP3 P15309 3/20 0.49
EPHX2 P34913 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCB1 P08183 3/20 0.43
SLC6A4 P31645 1/20 0.43
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL28926750 0.84 ACP3 (0.61) METAP2METAP1ACP3EPHX2KMT2A
SCHEMBL7809649 0.83 ABCB1 (0.54) ACP3CYP2C19ABCB1
SCHEMBL10616435 0.81 SIGMAR1 (0.43) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL27991615 0.80 CYP2C19 (0.48) METAP2METAP1ACP3KMT2AALDH1A1
SCHEMBL7964583 0.79 METAP2 (0.52) METAP2METAP1ACP3EPHX2KMT2A
SCHEMBL3741224 0.79 METAP2 (0.46) METAP2METAP1ACP3EPHX2KMT2A
SCHEMBL25951940 0.79 METAP2 (0.52) METAP2METAP1ACP3EPHX2KMT2A
SCHEMBL3923362 0.79 CYP1A2 (0.47) METAP2METAP1ACP3KMT2AALDH1A1
SCHEMBL3923359 0.79 CYP1A2 (0.47) METAP2METAP1ACP3KMT2AALDH1A1
SCHEMBL15171136 0.79 ALDH1A1 (0.47) METAP2METAP1ACP3KMT2AALDH1A1

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
WO-2023149553-A1 METHOD FOR IMPROVING HARDNESS OF FIRED PRODUCT 日産化学株式会社 2023-08-10 WO disclosed
US-20160248020-A1 COMPOSITIONS CONTAINING FLUORENE SUBSTITUTED TRIAZINE DERIVED COMPOUNDS, AND ELECTRONIC DEVICES CONTAINING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2016-08-25 US disclosed
WO-2015073343-A1 COMPOSITIONS CONTAINING FLUORENE SUBSTITUTED TRIAZINE DERIVED COMPOUNDS, AND ELECTRONIC DEVICES CONTAINING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-21 WO 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-20160248020-A1 COMPOSITIONS CONTAINING FLUORENE SUBSTITUTED TRIAZINE DERIVED COMPOUNDS, AND ELECTRONIC DEVICES CONTAINING THE SAME KCNA1, KCNC1, KCNA5 METAP2 3231/4885METAP1 3036/4885ACP3 4855/4885

“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.