SCHEMBL9290482

SCHEMBL9290482

Cc1c(C(=O)O)cccc1C(C)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTGER1 P34995 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MYC P01106 2/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL9647534 0.88 ALDH1A1 (0.41) TSHRKDM4EALDH1A1HSD17B10HPGD
Dexmedetomidine SCHEMBL22476077 0.85 ALDH1A1 (0.41) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9290481 0.85 KDM4E (0.42) TSHRKDM4EALDH1A1HSD17B10KMT2A
Medetomidine SCHEMBL22616184 0.82 ADRA2A (0.43) TSHRNPC1RAB9ACYP1A2CYP3A4
Dexmedetomidine SCHEMBL22616211 0.82 ADRA2A (0.43) TSHRNPC1RAB9ACYP1A2CYP3A4
Dexmedetomidine SCHEMBL22476080 0.82 ADRA2A (0.40) TSHRMEN1KMT2AAKR1B10TRPA1
Dexmedetomidine SCHEMBL22616265 0.81 ADRA2A (0.42) TSHRALDH1A1MEN1KMT2AMAPT
Dexmedetomidine SCHEMBL22476078 0.80 ADRA2A (0.41) TSHRKDM4ELMNACYP1A2CYP3A4
Medetomidine SCHEMBL26432 0.79 ADRA2A (0.50) TSHRTRPA1CYP1A2CYP3A4CYP2C9
Medetomidine SCHEMBL787913 0.79 ADRA2A (0.50) TSHRTRPA1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566703-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2021-04-07 EP disclosed
EP-3566703-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2019-11-13 EP disclosed
EP-3241553-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2019-04-10 EP disclosed
EP-3241553-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2017-11-08 EP disclosed
EP-2395999-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9555021-B2 Pharmaceutical compositions comprising (3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl)methanol ALLERGAN, INC. (US) 2017-01-31 US disclosed
US-20160038466-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. 2016-02-11 US disclosed
US-9193690-B2 Pharmaceutical compositions comprising (3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl)methanol ALLERGAN, INC. (US) 2015-11-24 US disclosed
US-20150080445-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. 2015-03-19 US disclosed
US-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2012-05-31 US disclosed
US-20110301214-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLEGRAN, INC. (US) 2011-12-08 US disclosed
WO-2010093930-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2010-08-19 WO disclosed
WO-2010093910-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2010-08-19 WO 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 (4 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-20160038466-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 TSHR 4714/4885KDM4E 1982/4885ALDH1A1 999/4885
US-20110301214-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 TSHR 4714/4885KDM4E 1982/4885ALDH1A1 999/4885
US-20150080445-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 TSHR 4714/4885KDM4E 1982/4885ALDH1A1 999/4885
US-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE OPRK1, OPRD1, TPMT TSHR 1750/4885KDM4E 1708/4885ALDH1A1 352/4885

“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.