SCHEMBL16562304

SCHEMBL16562304

CN(CCO)Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIGMAR1 Q99720 4/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ HIF1A Q16665 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ PDCD1 Q15116 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL13918966 0.85 ALDH1A1 (0.47) MEN1KMT2ASIGMAR1TMEM97HIF1A
SCHEMBL16559754 0.85 SIGMAR1 (0.40) MEN1KMT2ASIGMAR1TMEM97HIF1A
SCHEMBL19852567 0.84 BCHE (0.42) MEN1KMT2ASIGMAR1TMEM97HIF1A
SCHEMBL13336035 0.81 KDM4E (0.43) SIGMAR1TMEM97HIF1AKDM4EALDH1A1
SCHEMBL4678470 0.79 CYP2C19 (0.52) ALDH1A1HPGDACHELMNAHDAC4
SCHEMBL17300702 0.78 ACHE (0.42) MEN1KMT2ASIGMAR1TMEM97HIF1A
SCHEMBL13175212 0.78 CYP2D6 (0.56) SIGMAR1BRD4PDCD1CD274HSD17B10
SCHEMBL10223554 0.78 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16217382 0.77 AOC3 (0.47) MEN1KMT2ASIGMAR1TMEM97HIF1A
SCHEMBL7976714 0.77 HSD11B1 (0.45) SIGMAR1BRD4PDCD1CD274HSD17B10

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 — — US disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 — — US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 — — US disclosed
US-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 — — US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 — — US disclosed
US-10544151-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-01-28 — — US disclosed
US-20190284172-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2019-09-19 — — US disclosed
US-10351570-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-07-16 — — US disclosed
US-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 — — US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 — — US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 — — US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 — — US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 — — US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 — — 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 (14 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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA MEN1 1981/4885KMT2A 4801/4885SIGMAR1 4247/4885
US-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA MEN1 1981/4885KMT2A 4801/4885SIGMAR1 4247/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA MEN1 1981/4885KMT2A 4801/4885SIGMAR1 4247/4885
US-10544151-B2 Compounds and uses thereof RB1, VEGFA, KDR MEN1 2105/4885KMT2A 4786/4885SIGMAR1 4297/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 MEN1 2005/4885KMT2A 4789/4885SIGMAR1 4299/4885
US-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-20190284172-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-10351570-B2 Compounds and uses thereof RB1, VEGFA, FLT4 MEN1 2005/4885KMT2A 4789/4885SIGMAR1 4299/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 MEN1 2165/4885KMT2A 4792/4885SIGMAR1 3645/4885

“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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