SCHEMBL4083574

SCHEMBL4083574

CCCCCOC(C)c1cc(N)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.41
SMPD1 P17405 1/20 0.40
CNR2 P34972 2/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
PRKCI P41743 1/20 0.37
ALOX5 P09917 1/20 0.37
DNM1 Q05193 1/20 0.37
ACHE P22303 1/20 0.36
ESR1 P03372 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL6536436 0.85 TSHR (0.43) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL11511512 0.77 ALDH1A1 (0.42) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL27577886 0.74 SMPD1 (0.56) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL8140503 0.74 PDE10A (0.45) MAPTALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL808653 0.73 SMPD1 (0.58) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL25274542 0.73 TSHR (0.52) TSHRCNR2LMNACYP1A2CYP3A4
SCHEMBL5382824 0.72 RORC (0.58) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5588721 0.72 BCHE (0.43) CNR2ACHEESR1AKR1C4AKR1C3
SCHEMBL5587708 0.72 BCHE (0.43) CNR2ACHEESR1AKR1C4AKR1C3
SCHEMBL5589998 0.72 BCHE (0.43) CNR2ACHEESR1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359890-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2009-08-12 EP disclosed
US-6673934-B2 4-AMINO-2-(1-ARYLOXY-ETHYL)PHENOL COMPOUND THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359890-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020157192-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-31 US disclosed
WO-2002058631-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 WO 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-20020157192-A1 Primary intermediates for oxidative coloration of hair AOX1, CYC1, CBR1 NPC1 2364/4885MAPT 4251/4885RAB9A 4006/4885

“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.