SCHEMBL21133849

SCHEMBL21133849

CCCCCCC(C)(CCCC)c1ncc(OC)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CNR2 P34972 12/20 0.35
CNR1 P21554 10/20 0.35
PTGS2 P35354 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL20793024 0.98 TSHR (0.39) TSHRKDM4ETP53CYP3A4MAPT
SCHEMBL19987519 0.92 TSHR (0.37) TSHRKDM4ETP53CYP3A4MAPT
SCHEMBL18522892 0.85 CNR2 (0.41) TSHRKDM4ETP53CYP3A4MAPT
SCHEMBL18523068 0.81 CNR2 (0.37) KDM4EMAPTCNR2CNR1
SCHEMBL23583995 0.80 NPC1 (0.38) TSHRCNR2CNR1
SCHEMBL21166112 0.80 TLR8 (0.34) CNR2CNR1
SCHEMBL22930722 0.78 MAPT (0.33) KDM4EMAPTCNR2CNR1USP2
SCHEMBL21398242 0.78 NPC1 (0.39) TSHRCNR2CNR1
SCHEMBL19363801 0.78 TLR8 (0.32) CNR2CNR1
SCHEMBL22930813 0.78 NPC1 (0.39) TSHRCNR2CNR1

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-20200361860-A1 hTERT MODULATORS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-11-19 US disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 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 (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-20200361860-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 TSHR 583/4885KDM4E 1772/4885TP53 8/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B TSHR 62/4885KDM4E 4471/4885TP53 581/4885

“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.