SCHEMBL18474240

SCHEMBL18474240

CC(C)(C)C1(C)Cc2ccc(F)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.36
▸ HTR2C P28335 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MAOB P27338 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ HCAR3 P49019 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL19030537 0.87 AKR1B1 (0.35) AKR1B1HTR2CDRD2HTR2AHIF1A
SCHEMBL18469484 0.87 AKR1B1 (0.39) AKR1B1HTR2CDRD2HTR2ARIPK1
SCHEMBL9220704 0.82 AKR1B1 (0.42) AKR1B1HTR2CDRD2HTR2AHIF1A
SCHEMBL18469509 0.81 KDM4E (0.33) HTR2C
SCHEMBL17193793 0.76 AKR1B1 (0.35) AKR1B1HTR2CDRD2HTR2AHIF1A
SCHEMBL25070406 0.75 CYP2D6 (0.37) MAOBKCNH2SIGMAR1
SCHEMBL18469498 0.75 CYP2D6 (0.37) MAOBKCNH2SIGMAR1
SCHEMBL19030108 0.75 AKR1B1 (0.34) AKR1B1HTR2CDRD2HTR2AHIF1A
SCHEMBL19030789 0.73 HIF1A (0.36) AKR1B1HTR2CDRD2HTR2AHIF1A
SCHEMBL24377045 0.73 HTR2C (0.37) AKR1B1HTR2CDRD2HTR2AHIF1A

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-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 — — US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 — — 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 AKR1B1 225/4885HTR2C 1269/4885DRD2 2821/4885

“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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