SCHEMBL20006078

SCHEMBL20006078

Cc1ccc(C)c(OCCCOc2ccccc2C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 7/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 4/20 0.55
ATM Q13315 2/20 0.55
HPGD P15428 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
NPC1 O15118 3/20 0.54
CYP2C19 P33261 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD3 P35462 1/20 0.54
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
TTR P02766 1/20 0.53
CYP2C8 P10632 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL21118395 0.94 TSHR (0.57) TSHRL3MBTL1MAPTRAB9AATM
SCHEMBL5266458 0.90 TSHR (0.70) TSHRL3MBTL1MAPTRAB9AATM
SCHEMBL20006086 0.89 L3MBTL1 (0.56) TSHRL3MBTL1MAPTRAB9AATM
SCHEMBL11679951 0.86 CYP2D6 (0.61) TSHRL3MBTL1MAPTRAB9AHPGD
SCHEMBL5929495 0.84 TSHR (0.67) TSHRL3MBTL1MAPTRAB9AHPGD
SCHEMBL89387 0.83 TSHR (0.62) TSHRL3MBTL1MAPTRAB9AHPGD
SCHEMBL5324386 0.82 HTR1B (0.56) TSHRL3MBTL1MAPTRAB9AHPGD
SCHEMBL9808080 0.82 ALDH1A1 (0.62) TSHRL3MBTL1MAPTRAB9AHPGD
SCHEMBL10241943 0.81 TSHR (0.64) TSHRL3MBTL1MAPTRAB9AATM
SCHEMBL15605970 0.81 TSHR (0.59) TSHRL3MBTL1MAPTRAB9AHPGD

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 TSHR 2792/4885L3MBTL1 805/4885MAPT 3938/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 TSHR 2792/4885L3MBTL1 805/4885MAPT 3938/4885

“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.