SCHEMBL4583395

SCHEMBL4583395

Nc1cc(C23CC4(c5ccc(O)c(N)c5)CC(C(F)(F)F)(C2)CC(C(F)(F)F)(C3)C4)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
GAA P10253 9/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 5/20 0.35
PKM P14618 3/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 5/20 0.34
ALOX15 P16050 4/20 0.34
HPGD P15428 3/20 0.34
ALOX12 P18054 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
USP2 O75604 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4583386 0.84 MEN1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4582985 0.79 ALDH1A1 (0.37) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4584026 0.78 ALDH1A1 (0.33) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL27244086 0.73 WDR5 (0.45) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4585323 0.72 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL2708128 0.71 MEN1 (0.57) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL31544676 0.71 MEN1 (0.57) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL4583375 0.70 GAA (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4583086 0.69 MEN1 (0.37) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL2747766 0.69 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2AMAPT

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-7423180-B2 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2008-09-09 US disclosed
US-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
EP-1602641-A1 BIS(3-AMINO-4-HYDROXYPHENYL)ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 2005-12-07 EP 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-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof HTR3D, ALKBH3, ALKBH5 ALDH1A1 768/4885GAA 4851/4885MEN1 1616/4885

“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.