SCHEMBL20780451

SCHEMBL20780451

Cc1ccc(CSc2ccc3ccccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCN9A Q15858 1/20 0.46
DAO P14920 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ANPEP P15144 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6057087 0.85 MAOA (0.58) RAB9ASMN1; SMN2SCN9ADAOMAOB
SCHEMBL28024514 0.83 ALDH1A1 (0.51) CYP2A6TDP1RAB9AHTTALDH1A1
SCHEMBL28024975 0.82 MAOB (0.57) CYP2A6RAB9ACYP1A2MAOBMAOA
SCHEMBL28386710 0.82 MAOB (0.57) CYP2A6TDP1RAB9AHTTSMN1; SMN2
SCHEMBL28389508 0.82 MAOA (0.57) CYP2A6RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL11601101 0.80 ALDH1A1 (0.56) RAB9AHTTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3380070 0.79 MAOA (0.58) RAB9AHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL10661141 0.79 SLC6A4 (0.53) TDP1RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL19422820 0.78 MAOA (0.41) CYP2A6RAB9AALDH1A1CYP1A2SCN9A
SCHEMBL14189345 0.78 DAO (0.46) RAB9AHTTALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752708-B2 Curable composition, cured product and optical member NIKON CORPORATION (JP) 2020-08-25 US disclosed
CN-104892471-B Substance having protein tyrosine kinase inhibitory activity, preparation method and use thereof 中国人民解放军军事医学科学院放射与辐射医学研究所 2020-03-27 CN disclosed
US-20190071522-A1 CURABLE COMPOSITION, CURED PRODUCT AND OPTICAL MEMBER NIKON CORPORATION (FR) 2019-03-07 US disclosed
CN-104892471-A Substances having protein tyrosine kinase inhibitory activity, and preparation method and use thereof INST RADIATION MED AMMS PLA 2015-09-09 CN 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-20190071522-A1 CURABLE COMPOSITION, CURED PRODUCT AND OPTICAL MEMBER FANCI, WDR1, C5 CYP2A6 1808/4885TDP1 2876/4885RAB9A 3388/4885
US-10752708-B2 Curable composition, cured product and optical member FANCI, WDR1, C5 CYP2A6 1808/4885TDP1 2876/4885RAB9A 3388/4885

“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.