SCHEMBL3874697

SCHEMBL3874697

Nc1ccc2c(oc3ccccc32)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MAOA P21397 2/20 0.45
ALOX5 P09917 3/20 0.45
DYRK1A Q13627 1/20 0.44
NQO1 P15559 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIMK1 P53667 1/20 0.41
KDM5A P29375 1/20 0.41
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.40
AHR P35869 2/20 0.40
HDAC3 O15379 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
SCHEMBL3873069 0.82 ATP1A1 (0.45) PTGS2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3885246 0.81 KMT2A (0.48) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3881176 0.81 PTGS2 (0.74) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL20441698 0.78 PTGS2 (0.51) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3878262 0.78 PTGS2 (0.51) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL13564032 0.77 AHR (0.52) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL1635471 0.77 AHR (0.52) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL30727466 0.77 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL2342912 0.76 ALDH1A1 (0.48) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3887746 0.76 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 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
CN-115043852-B Benzoxazole derivative and electroluminescent application thereof 武汉天马微电子有限公司 2023-12-29 CN disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
CN-115043852-A Benzoxazole derivative and electroluminescent application thereof 武汉天马微电子有限公司 2022-09-13 CN disclosed
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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 PTGS2 2307/4885KDM4E 1549/4885MEN1 4857/4885
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF TSPO, XDH, TARS2 PTGS2 1913/4885KDM4E 1209/4885MEN1 4735/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PTGS2 2307/4885KDM4E 1549/4885MEN1 4857/4885

“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.