SCHEMBL1991071

SCHEMBL1991071

CC(C)Oc1c[c]c(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.35
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
PTPN5 P54829 1/20 0.34
NOTUM Q6P988 1/20 0.34
SYK P43405 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK2 Q15119 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL900706 0.80 DRD1 (0.38) KMT2AALDH1A1GAALMNAMAPK1
SCHEMBL163245 0.77
SCHEMBL3061700 0.76 ALDH1A3 (0.42) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL1551048 0.76 ALDH1A3 (0.42) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL2321358 0.74 ALDH1A3 (0.41) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL17203715 0.74 KMT2A (0.44) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL125543 0.72 ALDH1A3 (0.64) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL8047364 0.72 ALDH1A3 (0.39) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL105035 0.72 ALDH1A3 (0.52) ALDH1A3POLBKMT2APARP10ALDH1A1
SCHEMBL4777768 0.71 ALDH1A1 (0.39) ALDH1A3POLBKMT2APARP10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217539-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2023-11-16 WO claimed
EP-4276093-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM Consejo Superior De Investigaciones Científicas (ES) 2023-11-15 EP claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
WO-2023217539-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2023-11-16 WO disclosed
EP-4276093-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM Consejo Superior De Investigaciones Científicas (ES) 2023-11-15 EP disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 US disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 US disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
CN-102083432-A Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI AVENTIS 2011-06-01 CN 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 (7 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A3 2426/4885POLB 2968/4885KMT2A 4152/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A3 2426/4885POLB 2968/4885KMT2A 4152/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG ALDH1A3 2607/4885POLB 4747/4885KMT2A 1612/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ALDH1A3 1453/4885POLB 4605/4885KMT2A 2766/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 ALDH1A3 1036/4885POLB 3414/4885KMT2A 761/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A3 2426/4885POLB 2968/4885KMT2A 4152/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG ALDH1A3 2607/4885POLB 4747/4885KMT2A 1612/4885

“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.