SCHEMBL19638153

SCHEMBL19638153

CCc1cc2c(s1)CCN(C(=O)O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ P2RY12 Q9H244 1/20 0.34

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
SCHEMBL19638431 0.77 KCNH2 (0.36) HTR1ADRD2DRD1KCNH2ALDH1A1
SCHEMBL26076507 0.76 MAPK1 (0.47) HTR1ADRD2DRD1KCNH2ALDH1A1
SCHEMBL19638455 0.76 HDAC6 (0.48) POLBALDH1A1HPGDMAPK1HDAC6
SCHEMBL3441449 0.76 HDAC6 (0.42) POLBHTTHDAC6TBXAS1
SCHEMBL27140541 0.75 HDAC6 (0.40) POLBHTR1ADRD2DRD1ALDH1A1
SCHEMBL28956427 0.75 HDAC6 (0.41) POLBHTTHDAC6TBXAS1
SCHEMBL12393136 0.74 ESR2 (0.52) HTR1ADRD2DRD1KCNH2MAPK1
SCHEMBL3441709 0.72 HDAC6 (0.40) POLBHDAC6HSD17B10CYP1A2CYP2C19
SCHEMBL3441379 0.71 POLB (0.40) POLBALDH1A1LMNAMAPTTSHR
SCHEMBL3441374 0.71 POLB (0.40) POLBALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 — — 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-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P POLB 2655/4885HTR1A 3490/4885DRD2 3021/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P POLB 2655/4885HTR1A 3490/4885DRD2 3021/4885

“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.

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