SCHEMBL2038792

SCHEMBL2038792

CCc1cc(C)cc(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 6/20 0.47
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
POLB P06746 2/20 0.42
NOS1 P29475 1/20 0.42
TSHR P16473 2/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL580071 0.87 HTT (0.52) ALDH1A1HTTMAPTKDM4ENOS3
SCHEMBL28189886 0.85 HTT (0.50) ALDH1A1HTTMAPTKDM4ENOS3
Hydrochloric Acid SCHEMBL2495588 0.85 HTT (0.50) ALDH1A1HTTMAPTKDM4ENOS3
Bromide SCHEMBL28270726 0.85 HTT (0.50) ALDH1A1HTTMAPTKDM4ENOS3
SCHEMBL6680469 0.83 ALDH1A1 (0.44) ALDH1A1HTTMAPTKDM4ENOS3
Nitrogen SCHEMBL28320966 0.83 HTT (0.48) ALDH1A1HTTMAPTKDM4ENOS3
SCHEMBL9325247 0.81 ALDH1A1 (0.59) ALDH1A1HTTMAPTKDM4ENOS3
SCHEMBL5158799 0.81 ALDH1A1 (0.52) ALDH1A1HTTMAPTKDM4ENOS3
SCHEMBL817061 0.81 KDM4E (0.42) ALDH1A1HTTMAPTKDM4ENOS3
Methane SCHEMBL21294037 0.79 ALDH1A1 (0.56) ALDH1A1HTTMAPTKDM4ENOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 EP disclosed
WO-2020213640-A1 AROMATIC-AMINE RESIN, MALEIMIDE RESIN, CURABLE RESIN COMPOSITION, AND CURED OBJECT OBTAINED THEREFROM 日本化薬株式会社 2020-10-22 WO disclosed
US-9427731-B2 Supported olefin metathesis catalysts MATERIA, INC. (US) 2016-08-30 US disclosed
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 US disclosed
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 US disclosed
WO-2016113757-A1 NOVEL RECYCLABLE IODINATING AGENT AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 WO disclosed
EP-2713755-B1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-02-24 EP disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 US disclosed
EP-0010163-A1 N-Diazolylalkyl-chloroacetanilides, process for their preparation and their use as herbicides BAYER AG (DE) 1980-04-30 EP disclosed
US-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
EP-0003539-A2 N-Azolylalkyl-halogenoacetanilides, process for their preparation and their use as herbicides BAYER AG (DE) 1979-08-22 EP disclosed
EP-0003540-A2 N-azolylalkyl anilines and process for their preparation BAYER AG (DE) 1979-08-22 EP disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
US-4085268-A Disubstituted s-triazines ARMSTRONG CORK COMPANY (US) 1978-04-18 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed
US-3980677-A Anthraquinone dyestuffs containing sulphonic acid groups BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3934019-A FUNGICIDE, INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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 (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-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885HTT 750/4885MAPT 1013/4885

“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.