SCHEMBL656888

SCHEMBL656888

CCNC(=O)c1ccon1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ACACB O00763 1/20 0.42
CNR1 P21554 1/20 0.41
RAB9A P51151 5/20 0.40
CHRNA4 P43681 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AR P10275 2/20 0.37

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
Phosphoric Acid SCHEMBL4435975 0.95 CNR1 (0.41) ATMACACBCNR1RAB9ACHRNA4
SCHEMBL892942 0.88 ATM (0.40) ATMACACBRAB9ACHRNA4SMN1; SMN2
SCHEMBL19064377 0.86 RAB9A (0.54) ATMACACBRAB9ASMN1; SMN2NPC1
SCHEMBL893060 0.83 CHRNA4 (0.41) ATMACACBCHRNA4SMN1; SMN2GAA
SCHEMBL892675 0.82 ACACB (0.44) ATMACACBRAB9ACHRNA4SMN1; SMN2
SCHEMBL893320 0.82 ACACB (0.39) ATMACACBRAB9ACHRNA4SMN1; SMN2
SCHEMBL3940897 0.81 CHRNA4 (0.40) ATMACACBCHRNA4SMN1; SMN2GAA
SCHEMBL17883351 0.81 RAB9A (0.55) ACACBRAB9ASMN1; SMN2NPC1GAA
SCHEMBL26750156 0.81 ADORA2A (0.40) ATMACACBCHRNA4ALDH1A1AR
Hydrochloric Acid SCHEMBL3938535 0.80 CHRNA4 (0.39) ATMACACBCHRNA4SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160250-B 4, 6-Biphenol derivative and application thereof 沈阳药科大学 2024-06-04 CN claimed
CN-115160250-A 4, 6-biphenyldiphenol derivatives and their use 沈阳药科大学 2022-10-11 CN claimed
CN-115160250-B 4, 6-Biphenol derivative and application thereof 沈阳药科大学 2024-06-04 CN disclosed
CN-115160250-A 4, 6-biphenyldiphenol derivatives and their use 沈阳药科大学 2022-10-11 CN disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
CN-107540624-A Heat shock protein inhibitors and its preparation method and application 广州市恒诺康医药科技有限公司 2018-01-05 CN disclosed
CN-107108591-A It is used as the resorcinol analog derivative of HSP90 inhibitor 正大天晴药业集团股份有限公司 2017-08-29 CN disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
EP-2370076-A2 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR Novartis AG (CH) 2011-10-05 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 (1 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P ATM 2501/4885ACACB 1934/4885CNR1 4593/4885

“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.