SCHEMBL20006033

SCHEMBL20006033

Cc1ccccc1OCC(C)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ ADRB2 P07550 2/20 0.50
▸ ADRB1 P08588 2/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL17813019 0.91 KDM4E (0.61) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL13385106 0.84 LMNA (0.68) SCN4ALMNAADRB2ADRB1ADRB3
SCHEMBL25443083 0.84 KDM4E (0.70) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL14225209 0.81 SCN4A (0.69) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL10022995 0.80 KDM4E (0.54) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL21969443 0.80 CYP1A2 (0.69) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL8047112 0.79 KDM4E (0.61) SCN4AKDM4ECYP1A2LMNAADRB2
SCHEMBL13209407 0.77 LMNA (0.59) SCN4ALMNAADRB2ADRB1ADRB3
SCHEMBL5279270 0.77 DRD2 (0.72) SCN4AKDM4ECYP1A2DRD2DRD4
SCHEMBL18031215 0.76 LMNA (0.49) SCN4ACYP1A2LMNAMAOAPTGS1

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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 SCN4A 3911/4885KDM4E 422/4885CYP1A2 3673/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 SCN4A 3911/4885KDM4E 422/4885CYP1A2 3673/4885

“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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