SCHEMBL29375783

SCHEMBL29375783

c1ccc2[nH]c(-c3cccc4ccccc34)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.58
CHEK1 O14757 1/20 0.58
KDM4E B2RXH2 5/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 4/20 0.55
ITK Q08881 1/20 0.53
GSK3B P49841 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
GAA P10253 2/20 0.51
ALPL P05186 1/20 0.51
AURKA O14965 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL2187575 1.00 KDR (0.58) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL31591007 1.00 KDR (0.58) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL10176240 0.96 KDR (0.61) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL11363931 0.90 KDR (0.63) KDRCHEK1KDM4ERAB9AMAPT
Acetic Acid SCHEMBL29113892 0.89 KDR (0.51) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL5051826 0.86 KDR (0.68) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL13814199 0.84 RAB9A (0.56) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL31655505 0.84 KDR (0.53) KDRCHEK1KDM4ERAB9AMAPT
Methane SCHEMBL28704887 0.84 KDR (0.66) KDRCHEK1KDM4ERAB9AMAPT
Benzene SCHEMBL27629233 0.84 RAB9A (0.69) KDRCHEK1KDM4ERAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102562-B Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2024-11-26 CN claimed
CN-116102562-A Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2023-05-12 CN claimed
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly TEXAS TECH UNIVERSITY SYSTEM (US) 2025-12-23 US disclosed
CN-119367815-A Device for solid phase extraction and method of use thereof 水技术公司 2025-01-28 CN disclosed
CN-116102562-B Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2024-11-26 CN disclosed
CN-117447376-A Siama-1 receptor inhibitors of the bicyclic structure 苏州恩华生物医药科技有限公司 2024-01-26 CN disclosed
CN-114702428-B Siama-1 receptor inhibitors of the bicyclic structure 苏州恩华生物医药科技有限公司 2023-11-28 CN disclosed
CN-116102562-A Naphtho [2,1-b ] indolo [2,3-d ] cyclooctalactone derivative and preparation method thereof 江苏师范大学 2023-05-12 CN disclosed
CN-114702428-A Linbicyclic structure sigma-1 receptor inhibitors 苏州恩华生物医药科技有限公司 2022-07-05 CN disclosed
CN-113024435-B Linbicyclic structure sigma-1 receptor inhibitors 苏州恩华生物医药科技有限公司 2022-06-17 CN disclosed
US-20220041634-A1 Three-Dimensional Organic Sandwich Chirality and Its Synthetic Assembly TEXAS TECH UNIVERSITY SYSTEM 2022-02-10 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 (2 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-20220041634-A1 Three-Dimensional Organic Sandwich Chirality and Its Synthetic Assembly WNT3, CTNNB1, ORC3 KDR 3967/4885CHEK1 897/4885KDM4E 1450/4885
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly WNT3, CTNNB1, ORC3 KDR 3967/4885CHEK1 897/4885KDM4E 1450/4885

“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.