SCHEMBL13302154

SCHEMBL13302154

Cc1cc2ccccc2c(-c2c[nH]c3ccc(C(=O)O)cc23)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTR7 P34969 1/20 0.41
▸ CAMK2D Q13557 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13302161 0.82 MAPT (0.43) KDM4EALDH1A1HTR7MAPTNPC1
SCHEMBL13302365 0.82 PTPN1 (0.50) PTPN1KDM4EALDH1A1HTR7CAMK2D
SCHEMBL13302155 0.82 MAPT (0.51) KDM4EALDH1A1THRBCAMK2DMAPT
SCHEMBL29221024 0.78 PTPN1 (0.60) PTPN1KDM4EALDH1A1THRBHPGD
SCHEMBL13302160 0.78 HTT (0.44) PTPN1KDM4EALDH1A1HPGDMAPT
SCHEMBL5429419 0.78 PTPN1 (0.61) PTPN1KDM4EHTR7CAMK2DMAPT
SCHEMBL29221042 0.77 PTPN1 (0.58) PTPN1KDM4EALDH1A1HTR7CAMK2D
SCHEMBL29221075 0.76 PTPN1 (0.54) PTPN1KDM4EALDH1A1THRBHPGD
SCHEMBL29221014 0.75 PTPN1 (0.61) PTPN1HTR7PPARGRIPK1
SCHEMBL5424136 0.74 PTPN1 (0.53) PTPN1KDM4EALDH1A1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP PTPN1 4116/4885KDM4E 1608/4885ALDH1A1 3687/4885

“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.

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