SCHEMBL17948554

SCHEMBL17948554

COc1cc(OC)c(C(C)C)cc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
RAB9A P51151 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28292159 0.87 POLB (0.46) CYP3A4HTTTSHRPOLBMAPT
SCHEMBL382778 0.85 HPGD (0.55) CYP3A4TSHRPOLBMAPTHPGD
SCHEMBL20780495 0.84 HTT (0.43) CYP3A4HTTTSHRPOLBMAPT
SCHEMBL382174 0.84 GAA (0.50) CYP3A4HTTTSHRPOLBMAPT
SCHEMBL24371391 0.82 HTT (0.44) CYP3A4HTTTSHRPOLBMAPT
SCHEMBL13978807 0.82 POLB (0.49) CYP3A4HTTTSHRPOLBMAPT
SCHEMBL28307124 0.81 HMGCR (0.51) CYP3A4TSHRPOLBMAPTHPGD
SCHEMBL22354782 0.80 SMN1; SMN2 (0.49) HTTMAPTHPGDGAARAB9A
SCHEMBL30350316 0.80 CYP3A4 (0.69) CYP3A4HTTTSHRMAPTHSD17B10
SCHEMBL7457674 0.80 CYP3A4 (0.69) CYP3A4HTTTSHRMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF NEW YORK UNIVERSITY 2022-05-12 US disclosed
CN-107108591-B Resorcinol derivatives as HSP90 inhibitors 正大天晴药业集团股份有限公司 2020-05-05 CN disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
WO-2016116061-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR 南京明德新药研发股份有限公司 2016-07-28 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 (3 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-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF MDM2, UBE3C, CUL1 CYP3A4 2826/4885HTT 792/4885TSHR 2647/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CYP3A4 2290/4885HTT 27/4885TSHR 4139/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P CYP3A4 2290/4885HTT 27/4885TSHR 4139/4885

“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.