SCHEMBL951816

SCHEMBL951816

OCc1cccc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
DAO P14920 1/20 0.46
PIK3CD O00329 1/20 0.46
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.43
GLS O94925 2/20 0.43
BCHE P06276 1/20 0.42
CYP1A2 P05177 2/20 0.41
PARP1 P09874 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30065739 1.00 AHR (0.50) AHRDAOPIK3CDCYP3A4MEN1
SCHEMBL6536568 0.84 AHR (0.47) AHRDAOPIK3CDCYP3A4MEN1
SCHEMBL7410348 0.83 HTR1A (0.40) AHRDAOPIK3CDCYP3A4MEN1
Tert-Butyl Formate SCHEMBL27892365 0.82 DAO (0.39) AHRDAOTDP1GLSBCHE
Ethoxycarbonyl Group SCHEMBL28293163 0.82 PKM (0.41) AHRDAOCYP3A4MEN1KMT2A
SCHEMBL1880679 0.81 AHR (0.44) AHRDAOPIK3CDMAPK1GLS
2-Methylindole SCHEMBL7697406 0.81 AHR (0.45) AHRDAOMEN1KMT2AMAPT
SCHEMBL11032690 0.80 GLS (0.45) AHRDAOPIK3CDMAPK1GLS
SCHEMBL2633083 0.79 DAO (0.50) AHRDAOPIK3CDCYP3A4MEN1
SCHEMBL8051283 0.79 AHR (0.50) AHRDAOPIK3CDCYP3A4MEN1

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 271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173925-B Benzoxoepinoindole derivative and preparation method thereof 浙江大学 2022-11-11 CN claimed
CN-112402385-B 4-hydroxymethyl-1H-indole compound pharmaceutical preparation and preparation method thereof 北京华氏开元医药科技有限公司 2022-04-01 CN claimed
CN-113173925-A Benzoxoepinoindole derivative and preparation method thereof 浙江大学 2021-07-27 CN claimed
CN-112194652-B 4-hydroxymethyl-1H-indole compound, preparation method and application 北京华氏开元医药科技有限公司 2021-03-05 CN claimed
CN-112402385-A 4-hydroxymethyl-1H-indole compound pharmaceutical preparation and preparation method thereof 北京华氏开元医药科技有限公司 2021-02-26 CN claimed
CN-112194652-A 4-hydroxymethyl-1H-indole compound, preparation method and application 北京华氏开元医药科技有限公司 2021-01-08 CN claimed
EP-1067950-B1 NEO-TRYPTOPHAN MAYO FOUNDATION (US) 2008-05-14 EP claimed
US-6765099-B2 NOVEL AMINO ACID, NEO-TRYPTOPHAN, AS WELL AS POLYPEPTIDES CONTAINING THIS NOVEL AMINO ACID SUCH AS NEUROTENSIN ANALOGS. IN ADDITION, THE INVENTION PROVIDES NEO- TRYPTOPHAN DERIVATIVES, SEROTONIN-LIKE NEO-TRYPTOPHAN DERIVATIVES AND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-07-20 US claimed
US-20030166505-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION 2003-09-04 US claimed
WO-2002080906-A1 PREVENTION AND TREATMENT OF ENDOMETRIOSIS WITH ARYL HYDROCARBON RECEPTOR BINDING LIGANDS CEDARS-SINAI MEDICAL CENTER (US) 2002-10-17 WO claimed
US-20020147155-A1 Prevention and treatment of endometriosis with aryl hydrocarbon receptor binding ligands CEDARS-SINAI MEDICAL CENTER 2002-10-10 US claimed
US-20010027174-A1 Neo-tryptophan MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH MINNESOTA CORPORATION 2001-10-04 US claimed
EP-1067950-A4 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL (US) 2001-09-05 EP claimed
US-6214790-B1 POLYPEPTIDES OF NEOTRYPTOPHAN AND SYNTHESIS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2001-04-10 US claimed
EP-1067950-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-01-17 EP claimed
WO-1999052539-A1 NEO-TRYPTOPHAN MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-10-21 WO claimed
US-20250115572-A1 SPIROCYCLIC PIPERIDINYL DERIVATIVES AS COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS PHARMA AG (CH) 2025-04-10 US disclosed
EP-4469157-A1 SPIROCYCLIC PIPERIDINYL DERIVATIVES AS COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2024-12-04 EP disclosed
EP-0099766-A1 1-3-Dihydro 4-(1-hydroxy-2-amino-ethyl)-2H-indol-2-one derivatives, their salts, process for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1984-02-01 EP disclosed
EP-0076713-A1 Aminomethyl-1H-indole-4-methanol derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1983-04-13 EP 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-20030166505-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 AHR 743/4885DAO 189/4885PIK3CD 3622/4885
US-20250115572-A1 SPIROCYCLIC PIPERIDINYL DERIVATIVES AS COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF CFB, C1QBP, CFH AHR 3209/4885DAO 3767/4885PIK3CD 705/4885
US-20010027174-A1 Neo-tryptophan NTSR1, NTSR2, TPH1 AHR 743/4885DAO 189/4885PIK3CD 3622/4885

“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.