SCHEMBL18044477

SCHEMBL18044477

COC(=O)c1ccc(C(O)c2c(OCc3ccccc3)ccc(OC)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
SMPD1 P17405 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
RXRA P19793 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
F7 P08709 1/20 0.45

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
SCHEMBL4630972 0.84 EGFR (0.41) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL22394632 0.81 MAPT (0.41) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30808537 0.81 MAPT (0.41) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18044447 0.81 ATM (0.55) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2579065 0.79 LMNA (0.53) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL18151909 0.78 CA1 (0.44) MAPTRAB9ANPC1LMNAATM
SCHEMBL8481716 0.76 LMNA (0.43) MAPTRAB9AMRGPRX4RXRALMNA
SCHEMBL2188210 0.75 SMPD1 (0.76) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2063068 0.75 SMN1; SMN2 (0.73) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18080982 0.73 LMNA (0.54) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067351-B1 COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR JENKEM TECH CO LTD TIANJIN (CN) 2019-02-06 EP disclosed
US-9925171-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof Jenkem Technology Co., Ltd., (Tianjin) (CN) 2018-03-27 US disclosed
US-9925171-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof Jenkem Technology Co., Ltd., (Tianjin) (CN) 2018-03-27 US disclosed
US-9925171-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof Jenkem Technology Co., Ltd., (Tianjin) (CN) 2018-03-27 US disclosed
US-20170119736-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2017-05-04 US disclosed
US-20170119736-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2017-05-04 US disclosed
US-20170119736-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2017-05-04 US disclosed
US-9567319-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof JENKEM TECHNOLOGY CO. LTD., (TIANJIN) (CN) 2017-02-14 US disclosed
US-9567319-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof JENKEM TECHNOLOGY CO. LTD., (TIANJIN) (CN) 2017-02-14 US disclosed
US-9567319-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof JENKEM TECHNOLOGY CO. LTD., (TIANJIN) (CN) 2017-02-14 US disclosed
US-20160304501-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2016-10-20 US disclosed
US-20160304501-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2016-10-20 US disclosed
US-20160304501-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF Jenkem Technology Co., Ltd., (Tianjin) (CN) 2016-10-20 US disclosed
EP-3067351-A1 COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR Jenkem Technology Co. Ltd. (Tianjin) (CN) 2016-09-14 EP 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 (2 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-20160304501-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF PRKCG, PRKG2, PKN3 SMN1; SMN2 3558/4885MAPT 4286/4885CYP1A2 1737/4885
US-20170119736-A1 COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF PRKCG, PRKG2, PKN3 SMN1; SMN2 3558/4885MAPT 4286/4885CYP1A2 1737/4885

“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.