SCHEMBL4420514

SCHEMBL4420514

Cc1cc2ccc3cc(C)oc3c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAOA P21397 3/20 0.41
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 2/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2A P29274 1/20 0.39
NQO1 P15559 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ANTXR2 P58335 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2A6 P11509 2/20 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
SCHEMBL18195342 0.88 ALDH1A1 (0.43) ALDH1A1MAOACA1CA9TDP1
SCHEMBL15851174 0.87 ALDH1A1 (0.41) ALDH1A1MAOACA1CA9TDP1
SCHEMBL18133619 0.85 ALDH1A1 (0.40) ALDH1A1MAOACA1CA9TDP1
SCHEMBL12279379 0.85 ALDH1A1 (0.40) ALDH1A1MAOACA1CA9TDP1
SCHEMBL4430567 0.84 MAOA (0.41) ALDH1A1MAOACYP1A2KDM4ECYP3A4
SCHEMBL24858080 0.81 ALDH1A1 (0.34) ALDH1A1MAOACA1CA9TDP1
SCHEMBL28417210 0.81 CYP3A4 (0.47) ALDH1A1MAOACA9CYP1A2KDM4E
SCHEMBL30009780 0.79 KMT2A (0.51) ALDH1A1MAOATDP1CYP1A2KDM4E
SCHEMBL4428324 0.78 MAOB (0.58) ALDH1A1MAOACYP1A2ADORA2ACYP2A6
SCHEMBL18267849 0.77 ALDH1A1 (0.36) ALDH1A1MAOACYP1A2KDM4ECYP3A4

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 28 patents — showing the first 20. 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
US-9236613-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-12 US disclosed
US-9236613-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-12 US disclosed
US-9130233-B2 Metal complex, modified compound thereof and useful compound thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
US-9130233-B2 Metal complex, modified compound thereof and useful compound thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US disclosed
US-8546291-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-01 US disclosed
US-8546291-B2 Cyclic compound, its metal complex and modified metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-01 US disclosed
US-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-15 US disclosed
US-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-15 US disclosed
US-8329929-B2 Metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
EP-2123638-A1 METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP 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
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 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 (4 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 ALDH1A1 657/4885MAOA 507/4885CA1 1514/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885MAOA 507/4885CA1 1514/4885
US-20130210615-A1 METAL COMPLEX, MODIFIED COMPOUND THEREOF AND USEFUL COMPOUND THEREOF C5, PRMT1, C1QBP ALDH1A1 1546/4885MAOA 912/4885CA1 71/4885
US-20090318681-A1 METAL COMPLEX, AND USE THEREOF MT-CO1, CYC1, ACAD9 ALDH1A1 225/4885MAOA 346/4885CA1 356/4885

“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.