SCHEMBL18194397

SCHEMBL18194397

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD11B1 P28845 6/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
NR1I2 O75469 2/20 0.36
HTR1D P28221 1/20 0.36

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
SCHEMBL30467243 1.00 CA12 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL15730710 1.00 CA12 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL21157853 0.94 HSD11B1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL18194392 0.93 HSD11B1 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL30719727 0.90 HSD11B1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL21157238 0.90 HSD11B1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL16664369 0.90 HSD11B1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL22523881 0.89 KIF11 (0.42) CA12CA1CA2CA9HSD11B1
SCHEMBL17614162 0.88 HTR6 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL21726108 0.85 CA2 (0.41) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
US-20220037591-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-03 US disclosed
WO-2020162600-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-08-13 WO disclosed
US-9604941-B2 Preparation method of conjugated compound containing bis(phenylsulfonyl)benzene structure and an organic electroluminescent diode device using the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-03-28 US disclosed
US-9604941-B2 Preparation method of conjugated compound containing bis(phenylsulfonyl)benzene structure and an organic electroluminescent diode device using the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-03-28 US disclosed
US-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 US disclosed
US-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 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 (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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 CA12 1612/4885CA1 2378/4885CA2 2061/4885
US-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR CA12 4589/4885CA1 4206/4885CA2 4395/4885
US-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF AOC1, DDT, KCNJ1 CA12 3670/4885CA1 4444/4885CA2 3748/4885
US-20220037591-A1 Polycyclic aromatic compound F11, C1R, RNF31 CA12 1612/4885CA1 2378/4885CA2 2061/4885

“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.