SCHEMBL7595757

SCHEMBL7595757

CCCCOC(=O)Nc1ccc(O)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.60
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 9/20 0.60
HPGD P15428 7/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
CASP1 P29466 1/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL7420208 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696399 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL30780905 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696408 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8604284 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696402 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7564852 0.82 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL13387474 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7815282 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7176133 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 ESR1 3244/4885RAB9A 4278/4885NPC1 4862/4885

“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.