SCHEMBL1109753

SCHEMBL1109753

Cc1cc(C)c(Br)c(C)c1.[MgH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.43
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NUDT1 P36639 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL156826 0.97 RAPGEF4 (0.45) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL30101957 0.81 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL4696777 0.81 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL659541 0.77 SELL (0.50) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL29863733 0.77 RAPGEF4 (0.40) RAPGEF4MAPK1CA1CA2MMP1
SCHEMBL13550094 0.77 RAPGEF4 (0.39) RAPGEF4ALDH1A1LMNAMAPTMAPK1
SCHEMBL3347824 0.77 ALDH1A1 (0.52) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1043169 0.77 RAPGEF4 (0.40) RAPGEF4MAPK1CA1CA2MMP1
SCHEMBL9009487 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP1A2
SCHEMBL13550083 0.76 NQO2 (0.38) ALDH1A1LMNAMAPK1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960123-B Boron hybrid molecular carbon compound with near infrared absorption and preparation method and application thereof 吉林大学 2025-01-03 CN claimed
CN-110343134-B Preparation method of photoinitiator bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide 张震 2022-03-15 CN claimed
CN-114106029-A Organic molecule containing boron-nitrogen coordination bond and preparation method thereof 中国科学院长春应用化学研究所 2022-03-01 CN claimed
CN-110759945-A Preparation method of phosphine chiral center sodium salt 南京理工大学 2020-02-07 CN claimed
CN-110694692-A Air stable catalyst, preparation thereof and application of catalyst in catalytic generation of N1-substituted pyrazole derivatives 沈阳中化农药化工研发有限公司 2020-01-17 CN claimed
US-20080312125-A1 Solvents containing cycloalkyl alkyl ethers and process for production of the ethers KIM IDAN 2008-12-18 US claimed
US-12410271-B1 CO2 chemical reaction viscosity-increasing type polymer surfactant for gas channeling control during CO2 flooding in offshore heavy oil reservoirs, preparation method therefor and use thereof CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2025-09-09 US disclosed
CN-119798292-A Polycyclic fusion molecule containing oxygen, boron and nitrogen coordination bonds and preparation method thereof 华侨大学 2025-04-11 CN disclosed
CN-119343386-A Synthesis of polyethylene or copolymer of ethylene and 1, 3-diene having terminal ketone function 米其林集团总公司 2025-01-21 CN disclosed
CN-115960123-B Boron hybrid molecular carbon compound with near infrared absorption and preparation method and application thereof 吉林大学 2025-01-03 CN disclosed
CN-119219683-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
CN-119219684-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
CN-119219682-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
EP-1208108-A1 POLYMERISATION PROCESS CATALYSED BY A BIDENTATE BISPHOSPHINE-GROUP VIII METAL COMPLEX BP Chemicals Limited (GB) 2002-05-29 EP disclosed
WO-2001010876-A1 POLYMERISATION PROCESS CATALYSED BY A BIDENTATE BISPHOSPHINE-GROUP VIII METAL COMPLEX BP CHEMICALS LIMITED (GB) 2001-02-15 WO disclosed
CN-1268137-A Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders DU PONT PHARM CO (US) 2000-09-27 CN disclosed
US-4105781-A ANTIALLERGENS FOR TREATMENT OF ASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-08-08 US disclosed
US-4049664-A ANTIALLERGENS, ANTIASTHMATICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-09-20 US disclosed
US-4001280-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-01-04 US disclosed
US-3965122-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-22 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-20080312125-A1 Solvents containing cycloalkyl alkyl ethers and process for production of the ethers CBR1, ADH1C, ECH1 RAPGEF4 526/4885ALDH1A1 271/4885KDM4E 687/4885

“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.