SCHEMBL12745369

SCHEMBL12745369

CC(C)c1cc2cc(C(C)(C)C)ccc2n1CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 3/20 0.36
▸ NR1I2 O75469 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ 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
▸ ACSS2 Q9NR19 1/20 0.33
▸ PTGES O14684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CCR9 P51686 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13365035 0.81 KMT2A (0.39) KMT2AKDM4EHTTALDH1A1HSD17B10
SCHEMBL12827380 0.78 AKR1C3 (0.42) KMT2APGRRORARORCRORB
SCHEMBL21341338 0.77 CCR9 (0.40) DNMT1CCR9ALDH1A1HPGDALOX15
SCHEMBL14845738 0.76 NR1I2 (0.39) DNMT1NR1I2KMT2AKCNH2CACNA1B
SCHEMBL3667554 0.75 PGR (0.49) DNMT1KMT2APGRRORARORC
SCHEMBL12745350 0.74 NR1I2 (0.38) NR1I2KMT2AKCNH2PGRRORA
SCHEMBL24630643 0.72 CASR (0.38) CACNA1BACSS2CCR9ALDH1A1HPGD
SCHEMBL24943790 0.72 CCR9 (0.39) DNMT1KCNH2PGRRORARORC
SCHEMBL24943615 0.71 CCR9 (0.38) DNMT1KCNH2PGRRORARORC
SCHEMBL14093224 0.70 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
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-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 — — US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 — — US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 — — US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 — — US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 — — US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 — — US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 — — US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 — — US disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 — — US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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 (11 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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 DNMT1 4402/4885NR1I2 791/4885KMT2A 4223/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 DNMT1 4444/4885NR1I2 491/4885KMT2A 4313/4885

“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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