SCHEMBL14245147

SCHEMBL14245147

O=P(Cl)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PTPN5 P54829 1/20 0.42
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP3 P08254 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA14 Q9ULX7 1/20 0.39
IDH1 O75874 1/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 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
SCHEMBL824518 0.85 CYP1A2 (0.46) ACP3CYP1A2ALDH1A1PTPN5MAPK1
SCHEMBL95882 0.84 CA2 (0.52) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL17711516 0.83 ACP3 (0.52) ACP3CYP1A2ALDH1A1PTPN5NPC1
SCHEMBL14339275 0.81 ALDH1A1 (0.53) ACP3CYP1A2ALDH1A1PTPN5MAPK1
SCHEMBL14339266 0.81 ALDH1A1 (0.53) ACP3CYP1A2ALDH1A1PTPN5MAPK1
SCHEMBL28186178 0.81 CA2 (0.50) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL11145592 0.81 ALDH1A1 (0.53) ACP3CYP1A2ALDH1A1PTPN5MAPK1
SCHEMBL3449678 0.81 CA2 (0.50) ALDH1A1TDP1CA2CA4CA5A
Biphenyl SCHEMBL122229 0.81 ALDH1A1 (0.60) ACP3CYP1A2ALDH1A1PTPN5MAPK1
SCHEMBL14244853 0.79 PTPN1 (0.47) ACP3ALDH1A1PTPN5MMP8MMP14

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
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 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-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A ACP3 3419/4885CYP1A2 856/4885ALDH1A1 495/4885

“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.