SCHEMBL4120120

SCHEMBL4120120

Cc1cc2c(ccc3oc(C)cc32)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
CYP1A1 P04798 5/20 0.53
CYP1B1 Q16678 5/20 0.53
ACHE P22303 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DYRK1A Q13627 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
NQO1 P15559 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
SCHEMBL15851182 0.95 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL18810297 0.95 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL12278160 0.95 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL4416705 0.84 PAX8 (0.51) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL16271828 0.82 KDM4E (0.54) CYP1B1KDM4EMAPTHSD17B10GAA
SCHEMBL18195344 0.81 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL17427932 0.81 PAX8 (0.49) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL12278145 0.81 PAX8 (0.49) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL4418399 0.79 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1ACHEKDM4E
SCHEMBL4427615 0.79 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1741000-B1 AS-INDACENE DERIVATIVES HAVING NEGATIVE DIELECTRIC ANISOTROPY MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7517471-B2 And benzo[1,2-b:3,4-b']difuran derivatives; liquid crystal media, electrooptical displays; negative Delta epsilon, vertically alligned thin film transistors MERCK PATENT GMBH (DE) 2009-04-14 US disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-20070228328-A1 As-Indacen Derivatives MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
EP-1741000-A1 AS-INDACEN DERIVATIVES MERCK PATENT GmbH (DE) 2007-01-10 EP disclosed
WO-2005103799-A1 AS-INDACEN DERIVATIVES MERCK PATENT GMBH (DE) 2005-11-03 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (3 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP1A2 640/4885CYP1A1 292/4885CYP1B1 189/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP1A2 640/4885CYP1A1 292/4885CYP1B1 189/4885
US-20070228328-A1 As-Indacen Derivatives AXIN2, CYP1B1, IDO2 CYP1A2 19/4885CYP1A1 16/4885CYP1B1 2/4885

“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.