SCHEMBL847229

SCHEMBL847229

CCOC(=O)C(C)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NOTUM Q6P988 1/20 0.44
MGAM O43451 1/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
PRNP P04156 1/20 0.43

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
SCHEMBL6190703 0.86 KDM4E (0.50) CYP1A2ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL2631568 0.85 CYP1A2 (0.49) CYP1A2CYP2C9HIF1AALDH1A1KMT2A
SCHEMBL16892973 0.83 CYP1A2 (0.47) CYP1A2CYP2C9HIF1AALDH1A1KMT2A
SCHEMBL753885 0.83 CYP1A2 (0.47) CYP1A2CYP2C9HIF1AALDH1A1KMT2A
SCHEMBL28169186 0.82 MGAM (0.51) CYP1A2ALDH1A1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7980839 0.82 CYP1A2 (0.46) CYP1A2CYP2C9HIF1AALDH1A1KMT2A
SCHEMBL31016541 0.81 AKR1C3 (0.62) CYP1A2HIF1AALDH1A1HPGDSMN1; SMN2
SCHEMBL846535 0.81 AKR1C3 (0.62) CYP1A2HIF1AALDH1A1HPGDSMN1; SMN2
SCHEMBL6421146 0.80 KDM4E (0.49) CYP1A2CYP2C9HIF1AALDH1A1KMT2A
SCHEMBL29511481 0.80 KDM4E (0.49) CYP1A2CYP2C9HIF1AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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 (15 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP1A2 2984/4885CYP2C9 3941/4885HIF1A 3448/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP1A2 2057/4885CYP2C9 2691/4885HIF1A 4370/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP1A2 3174/4885CYP2C9 2875/4885HIF1A 4147/4885
US-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP1A2 3302/4885CYP2C9 4154/4885HIF1A 3476/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS CYP1A2 2884/4885CYP2C9 3351/4885HIF1A 4226/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP1A2 2984/4885CYP2C9 3941/4885HIF1A 3448/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP1A2 3022/4885CYP2C9 4001/4885HIF1A 3245/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP1A2 2139/4885CYP2C9 2585/4885HIF1A 4316/4885

“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.