SCHEMBL388608

SCHEMBL388608

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2(Cl)Cl)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL388609 1.00 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL28753270 0.75 ALDH1A1 (0.32) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL16307943 0.71 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4359754 0.71 ALDH1A1 (0.32) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL20106885 0.69 ALDH1A1 (0.60) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL760838 0.67 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL10108499 0.65 ALDH1A1 (0.30) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL5740940 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL15316122 0.65 ALDH1A1 (0.61) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL283988 0.65 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218094-A1 PREPOLYMER, RESIN COMPOSITION COMPRISING THE SAME AND ARTICLE MADE THEREFROM Elite Material Co., Ltd. (TW) 2024-07-04 US claimed
CN-117858964-A Flow cell 因美纳有限公司 2024-04-09 CN claimed
CN-117624409-A Preparation and application of self-curing functional material 兰州大学 2024-03-01 CN claimed
CN-114573760-B Prepolymer, resin composition comprising the same, and articles thereof 台光电子材料股份有限公司 2024-01-26 CN claimed
CN-117430498-A (E) Process for preparing oct-4-ene-1, 8-dioic acid 四川科瑞德制药股份有限公司 2024-01-23 CN claimed
CN-113164941-B Catalyst system comprising a metathesis catalyst and at least one phenolic compound and method for metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2023-12-12 CN claimed
CN-112010867-B Synthesis method of natural product Ovatodiolides 天津尚德药缘科技股份有限公司 2023-05-09 CN claimed
CN-114311753-A Resin composite material, preparation method, blade shell and wind generating set 江苏金风科技有限公司 2022-04-12 CN claimed
CN-113164941-A Catalyst system comprising a metathesis catalyst and at least one phenolic compound and process for the metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2021-07-23 CN claimed
CN-107108399-B 1, 3-butadiene synthesis 阿朗新科德国有限责任公司 2021-06-08 CN claimed
CN-106905483-B A kind of cyclic olefine copolymer and preparation method thereof 大连理工常熟研究院有限公司 2019-09-17 CN claimed
US-8101697-B2 Multi-functionalized high-trans elastomeric polymers BRIDGESTONE CORPORATION (JP) 2012-01-24 US claimed
CN-112055711-B Cyclohexylic acid triazolazine as LPA antagonist 百时美施贵宝公司 2024-07-23 CN disclosed
CN-114805365-B Factor XIA new macrocycles carrying non-aromatic P2' groups 百时美施贵宝公司 2024-07-23 CN disclosed
CN-118339259-A Multi-product route from renewable oil to petroleum substitute and lubricant comprising same 进化润滑剂公司 2024-07-12 CN disclosed
US-20240228444-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS RECURSION PHARMACEUTICALS, INC. 2024-07-11 US disclosed
US-20060173145-A1 Multi-functionalized high-trans elastomeric polymers BRIDGESTONE CORPORATION (JP) 2006-08-03 US disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 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-20240228444-A1 HETEROCYCLIC COMPOUNDS AND RELATED METHODS CYP11B2, CYP11B1, MAPT ALDH1A1 1053/4885NPSR1 840/4885MAPT 3/4885
US-20060173145-A1 Multi-functionalized high-trans elastomeric polymers VCL, PUF60, JMJD6 ALDH1A1 3595/4885NPSR1 4108/4885MAPT 1763/4885
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC ALDH1A1 2927/4885NPSR1 4168/4885MAPT 4511/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 ALDH1A1 2254/4885NPSR1 3493/4885MAPT 4240/4885

“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.