Sugi Predict

Sugi Predict / Compounds / SCHEMBL21836746

SCHEMBL21836746

SCHEMBL21836746

Cc1cc(C)c2cc3c(C)cc(C)cc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.54
▸ CYP2A6 P11509 4/20 0.54
▸ RAPGEF4 Q8WZA2 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ PSMB5 P28074 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 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
SCHEMBL15413016 0.87 CYP1A2 (0.48) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT
SCHEMBL10454912 0.86 CYP1A2 (0.52) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT
SCHEMBL598685 0.83 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1MAPTHPGD
SCHEMBL27996595 0.81 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1MAPTHPGD
SCHEMBL11578182 0.81 CYP1A2 (0.56) CYP1A2CYP2A6RAPGEF4ALDH1A1HPGD
SCHEMBL8743890 0.78 CYP1A2 (0.62) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT
SCHEMBL597701 0.76 CYP1A2 (0.60) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT
SCHEMBL9460277 0.74 CYP1A2 (0.42) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT
SCHEMBL15431496 0.74 CYP1A2 (0.42) CYP1A2CYP2A6MAPTKDM4ESMN1; SMN2
SCHEMBL28046445 0.74 CYP1A2 (0.50) CYP1A2CYP2A6RAPGEF4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108291028-B Ortho-substituted triptycene-based diamines, monomers and polymers, method for the production thereof and use thereof 阿卜杜拉国王科技大学 2020-09-11 — — CN claimed
CN-108291028-A The diamines based on triptycene, monomer and the polymer of ortho position substitution, preparation method and the usage 阿卜杜拉国王科技大学 2018-07-17 — — CN claimed
CN-108291028-B Ortho-substituted triptycene-based diamines, monomers and polymers, method for the production thereof and use thereof 阿卜杜拉国王科技大学 2020-09-11 — — CN disclosed
US-10619009-B2 Ortho-substituted triptycene-based diamines, monomers, and polymers, methods of making and uses thereof KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-04-14 — — US disclosed
CN-108291028-A The diamines based on triptycene, monomer and the polymer of ortho position substitution, preparation method and the usage 阿卜杜拉国王科技大学 2018-07-17 — — 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 (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-10619009-B2 Ortho-substituted triptycene-based diamines, monomers, and polymers, methods of making and uses thereof AOC1, PAM, ODC1 CYP1A2 3256/4885CYP2A6 4230/4885RAPGEF4 1339/4885

“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.