SCHEMBL14845738

SCHEMBL14845738

CC(C)(C)c1ccc2c(c1)cc(C(C)(C)CCO)n2CCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.39
▸ KMT2A Q03164 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ DNMT1 P26358 3/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL12745350 0.92 NR1I2 (0.38) NR1I2KMT2AKCNH2PGRRORA
SCHEMBL15099972 0.84 KMT2A (0.37) NR1I2KMT2AKDM4EHTTALDH1A1
SCHEMBL1466715 0.83 KDM4E (0.46) NR1I2KMT2AKDM4EHTTALDH1A1
SCHEMBL19085813 0.81 KDM4E (0.33) KMT2ARORARORCRORBKDM4E
SCHEMBL19752989 0.80 CNR2 (0.32) NR1I2KMT2AKDM4EHTT
SCHEMBL23278435 0.77 MAPT (0.38) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL12745369 0.76 DNMT1 (0.36) NR1I2KMT2AKCNH2PGRRORA
SCHEMBL3667554 0.74 PGR (0.49) KMT2APGRRORARORCRORB
SCHEMBL15096107 0.70 NR1I2 (0.43) NR1I2KCNH2CACNA1BDNMT1HDAC10
SCHEMBL14093224 0.69 KCNH2 (0.47) KCNH2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 — — US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 — — 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 (3 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-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NR1I2 491/4885KMT2A 4313/4885KCNH2 1194/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NR1I2 491/4885KMT2A 4313/4885KCNH2 1194/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NR1I2 491/4885KMT2A 4313/4885KCNH2 1194/4885

“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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