SCHEMBL18924305

SCHEMBL18924305

CC(C)(C)Cc1ccc(Cc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2B P41595 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
ESR1 P03372 1/20 0.37
SLC6A2 P23975 1/20 0.37
FYN P06241 1/20 0.37
CALM1 P0DP23 1/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10223944 0.81 ESR1 (0.45) ALDH1A1CYP2D6ESR1GRNSORT1
SCHEMBL19415197 0.80 KMT2A (0.52) LTA4HL3MBTL1ALDH1A1LMNACYP2D6
SCHEMBL14903592 0.78 ESR1 (0.42) L3MBTL1ALDH1A1LMNACYP2D6MAPT
SCHEMBL19891694 0.77 ESR1 (0.38) ALDH1A1CYP2D6ESR1
SCHEMBL6547275 0.77 CALM1 (0.57) LTA4HALDH1A1LMNACYP2D6TRPA1
SCHEMBL5109065 0.77 FYN (0.52) LTA4HL3MBTL1ALDH1A1HTR2BCYP11B1
SCHEMBL12776135 0.77 ESR1 (0.41) ALDH1A1CYP2D6ESR1
SCHEMBL7992583 0.77 ALDH1A1 (0.47) LTA4HL3MBTL1ALDH1A1HTR2BCYP11B1
SCHEMBL1680538 0.77 LOXL2 (0.48) LTA4HL3MBTL1ALDH1A1HTR2BCYP11B1
SCHEMBL27968366 0.77 MAPT (0.49) LTA4HALDH1A1LMNACYP2D6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 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-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB LTA4H 1446/4885L3MBTL1 3334/4885ALDH1A1 2384/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB LTA4H 1446/4885L3MBTL1 3334/4885ALDH1A1 2384/4885

“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.