SCHEMBL3874863

SCHEMBL3874863

Nc1cc(O)cc2c1sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 2/20 0.54
HCRTR1 O43613 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GPR3 P46089 1/20 0.45
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.41
LIMK1 P53667 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TNKS O95271 1/20 0.40

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
SCHEMBL28664644 0.88 ALDH1A1 (0.70) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL3881366 0.81 MAPT (0.53) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL3878176 0.81 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL3873419 0.80 CA12 (0.34) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL17987490 0.79 MAPT (0.46) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL21042192 0.77 TNKS (0.49) MAPTALDH1A1L3MBTL1LMNAHCRTR1
Acetic Acid SCHEMBL11200416 0.76 MAPT (0.44) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL11782168 0.76 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL3879000 0.75 MAPT (0.50) MAPTALDH1A1L3MBTL1LMNAHCRTR1
SCHEMBL3874563 0.75 MAOA (0.57) MAPTALDH1A1L3MBTL1LMNAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885ALDH1A1 660/4885L3MBTL1 4308/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885ALDH1A1 660/4885L3MBTL1 4308/4885

“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.