SCHEMBL4449690

SCHEMBL4449690

CCP(CC)c1ccccc1-c1ccccc1P(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC9A1 P19634 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5079306 0.86 DPP4 (0.39) ALDH1A1HSD17B10LMNAMAPK1SMN1; SMN2
SCHEMBL30616094 0.86 TP53 (0.36) TP53CYP1A2ALDH1A1SLC9A1
SCHEMBL2912079 0.86 TP53 (0.36) TP53CYP1A2ALDH1A1SLC9A1
SCHEMBL2850828 0.81 PTPRC (0.42) CYP3A4ALDH1A1HSD17B10NPC1MAPT
SCHEMBL15658789 0.80 MAP2K7 (0.31) TP53ALDH1A1MAPTSMN1; SMN2
Carbon Monoxide SCHEMBL11677050 0.77 MEN1 (0.31) TP53ALDH1A1
SCHEMBL7557905 0.77 ACHE (0.43) CYP1A2CYP3A4ALDH1A1NPC1MAPT
SCHEMBL15658031 0.77 BCHE (0.36) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2967314 0.75
SCHEMBL4438970 0.75 CYP3A4 (0.41) TP53CYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 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-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 TP53 3895/4885CYP1A2 2170/4885CYP3A4 1610/4885

“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.