SCHEMBL5435458

SCHEMBL5435458

N#CC1(C#N)C=CC(C(=O)c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGDS O60760 1/20 0.37
ATM Q13315 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRD5A2 P31213 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
CTSL P07711 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL29136467 0.91 SRD5A2 (0.40) ALDH1A1ATML3MBTL1SRD5A2MEN1
SCHEMBL7856777 0.85 ALDH1A1 (0.38) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL8985140 0.78 ALDH1A1 (0.35) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL993046 0.78 ALDH1A1 (0.43) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL136599 0.78 ALDH1A1 (0.43) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL26630609 0.77 ALDH1A1 (0.39) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL157514 0.77 HPGD (0.41) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL1303037 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL156513 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSATMTDP1L3MBTL1
SCHEMBL528382 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362162-A Preparation method of carbonyl compound 中国科学院大连化学物理研究所 2024-01-09 CN claimed
CN-110963911-B AIE fluorescent probe for heparin detection and pH response, synthetic method and application 重庆师范大学 2022-03-22 CN claimed
CN-112209851-A Extraction method of 4, 4-dicyanobenzophenone 山东斯瑞药业有限公司 2021-01-12 CN claimed
CN-110963911-A AIE fluorescent probe for heparin detection and pH response, synthetic method and application 重庆师范大学 2020-04-07 CN claimed
CN-117362162-A Preparation method of carbonyl compound 中国科学院大连化学物理研究所 2024-01-09 CN disclosed
CN-114867711-B Compound and method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-04-11 CN disclosed
CN-115175951-A Resin composition, cured product, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2022-10-11 CN disclosed
CN-110963911-B AIE fluorescent probe for heparin detection and pH response, synthetic method and application 重庆师范大学 2022-03-22 CN disclosed
CN-112209851-A Extraction method of 4, 4-dicyanobenzophenone 山东斯瑞药业有限公司 2021-01-12 CN disclosed
CN-112209851-A Extraction method of 4, 4-dicyanobenzophenone 山东斯瑞药业有限公司 2021-01-12 CN disclosed
CN-112209851-A Extraction method of 4, 4-dicyanobenzophenone 山东斯瑞药业有限公司 2021-01-12 CN disclosed
CN-110963911-A AIE fluorescent probe for heparin detection and pH response, synthetic method and application 重庆师范大学 2020-04-07 CN disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 ALDH1A1 2364/4885HPGDS 2115/4885ATM 1154/4885

“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.