SCHEMBL4268320

SCHEMBL4268320

COC(=O)c1ccc(OCc2ccc(OC)c(OC)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MRGPRX4 Q96LA9 8/20 0.58
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMPD1 P17405 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CTSK P43235 1/20 0.50
TNFRSF1A P19438 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL4273360 0.88 MRGPRX4 (0.70) MAPTSMN1; SMN2MRGPRX4NPC1RAB9A
SCHEMBL365277 0.85 MRGPRX4 (0.58) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL3231604 0.84 MRGPRX4 (0.63) SMN1; SMN2CYP1A2CYP2C9CYP2C19MRGPRX4
SCHEMBL692883 0.83 MRGPRX4 (0.66) MAPTSMN1; SMN2MRGPRX4NPC1RAB9A
SCHEMBL20897506 0.82 MRGPRX4 (0.56) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
Methyl 3-Chloro-4-Methoxybenzoate SCHEMBL1637523 0.81 KMT2A (0.69) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
Methyl 3-Chloro-4-Methoxybenzoate SCHEMBL31296522 0.81 KMT2A (0.69) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL10543265 0.80 S1PR4 (0.56) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL1398536 0.79 MEN1 (0.59) MAPTSMN1; SMN2CYP1A2CYP2C19MRGPRX4
SCHEMBL2801658 0.78 MAPT (0.72) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9

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-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRISTOL-MYERS SQUIBB COMPANY 2006-06-22 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-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents NASP, BRDT, ACR MAPT 3634/4885SMN1; SMN2 3983/4885CYP1A2 2046/4885

“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.