SCHEMBL6288714

SCHEMBL6288714

Cn1ccc(-c2cc(N)ccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
PRKCI P41743 2/20 0.39
ACHE P22303 3/20 0.38
CASP1 P29466 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NSD2 O96028 1/20 0.35
ALOX15 P16050 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 3/20 0.35
RAB9A P51151 3/20 0.35
THRB P10828 2/20 0.35

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
SCHEMBL5704912 0.88 CASP1 (0.42) PDE10APRKCIACHECASP1CA1
SCHEMBL1378963 0.79 PELI1 (0.33)
SCHEMBL30962918 0.77 ALDH1A1 (0.42) PDE10APRKCICASP1TSHRKDM4E
SCHEMBL7462012 0.77 GAA (0.32) PRKCIKDM4EMAPTALDH1A1NSD2
SCHEMBL7462594 0.77 PRKCI (0.32) PRKCIKDM4EMAPTALDH1A1NSD2
SCHEMBL7460027 0.73 CYP2C19 (0.32) TSHRKDM4EMAPTALDH1A1TDP1
SCHEMBL7461889 0.73 PIK3CD (0.33) ALDH1A1
SCHEMBL3789852 0.73 PDE10A (0.54) PDE10APRKCICASP1CA1CA2
Ethane SCHEMBL28807032 0.72 PDE10A (0.65) PDE10APRKCIACHECASP1CA1
SCHEMBL7461490 0.72 ALDH1A1 (0.34) PDE10ATSHRKDM4EMAPTALDH1A1

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
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US claimed
EP-1222166-B1 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2003-08-13 EP claimed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 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-20030110577-A1 Novel p-aminophenols and colorants containing said compounds ALPP, GSTP1, GPX4 PDE10A 1900/4885PRKCI 3302/4885ACHE 2215/4885

“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.