SCHEMBL41252

SCHEMBL41252

CC(=O)n1ccc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 1.00
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TFPI2 P48307 1/20 0.45
NPY4R P50391 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL29506395 1.00 NOTUM (1.00) NOTUMTSHRRAB9AL3MBTL1CYP11B1
Ammonia Solution, Strong SCHEMBL27633395 0.98 NOTUM (0.96) NOTUMTSHRRAB9AL3MBTL1CYP11B1
Quinoline SCHEMBL27783727 0.84 NOTUM (0.71) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL1151123 0.83 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL10477477 0.83 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL5354348 0.81 NOTUM (0.68) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL29453277 0.81 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL931955 0.81 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL31470926 0.80 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL6665481 0.80 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-113980039-B Photothermal agent and preparation method and application thereof 杭州师范大学 2023-08-18 CN claimed
CN-114487416-A Intracranial aneurysm-related plasma metabolism markers and application thereof 南方医科大学珠江医院 2022-05-13 CN claimed
CN-113980039-A Photothermal agent and preparation method and application thereof 杭州师范大学 2022-01-28 CN claimed
CN-107915670-A A kind of preparation method of 5 bromo indole 苏州艾缇克药物化学有限公司 2018-04-17 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
WO-2012092232-A2 A STRATEGY FOR ON-SITE IN SITU GENERATION OF OXIDIZING COMPOUNDS AND APPLICATION OF THE OXIDIZING COMPOUND FOR MICROBIAL CONTROL NALCO COMPANY (US) 2012-07-05 WO claimed
US-20120165407-A1 STRATEGY FOR ON-SITE IN SITU GENERATION OF OXIDIZING COMPOUNDS AND APPLICATION OF THE OXIDIZING COMPOUND FOR MICROBIAL CONTROL ECOLAB USA INC. 2012-06-28 US claimed
US-20100189671-A1 INDOLE AMIDES AS PERFUMING INGREDIENTS FIRMENICH SA 2010-07-29 US claimed
CN-101754952-A Indole amides as perfuming ingredients FIRMENICH & CIE 2010-06-23 CN claimed
US-5665504-A Simulated photographic-quality prints using a plasticizer to reduce curl XEROX CORPORATION (US) 1997-09-09 US claimed
JP-54076576-A None JP disclosed
JP-54076577-A None JP disclosed
EP-4582104-A1 COMBINATION DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-09 EP disclosed
CN-120154003-A Plant source attractant for ladybug hexapetalus and application thereof 仲恺农业工程学院 2025-06-17 CN disclosed
WO-1990006113-A1 SUBSTITUTED SATURATED AND UNSATURATED INDOLE QUINOLINE AND BENZAZEPINE CARBOXAMIDES AND THEIR USE AS PHARMACOLOGICAL AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1990-06-14 WO disclosed
US-4920219-A Substituted saturated and unsaturated indole quinoline and benzazepine carboxamides and their use as pharmacological agents RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 US disclosed
JP-S5476577-A 1-ACYLINDOLINE DERIVATIVE MITSUI PETROCHEM IND LTD 1979-06-19 JP disclosed
JP-S5476576-A PREPARATION OF 1-ACYL-2,3-DIACYLOXYINDOLINE MITSUI PETROCHEM IND LTD 1979-06-19 JP 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 (1 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-20100189671-A1 INDOLE AMIDES AS PERFUMING INGREDIENTS TPH2, TPH1, AANAT NOTUM 439/4885TSHR 3412/4885RAB9A 3853/4885

“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.