SCHEMBL23662913

SCHEMBL23662913

CCC(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 4/20 0.58
PDPK1 O15530 1/20 0.54
CYP2A6 P11509 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
FFAR1 O14842 1/20 0.49
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7332873 0.89 CYP1A2 (0.66) IAPPNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3252017 0.87 HDAC1 (0.65) IAPPNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9404005 0.86 CYP1A2 (0.62) CYP1A2PDPK1CYP2A6HDAC1HDAC8
SCHEMBL27891937 0.83 CYP1A2 (0.58) NPC1RAB9ASMN1; SMN2CYP1A2PDPK1
SCHEMBL13061973 0.82 CYP1A2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5236795 0.82 CYP1A2 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6799501 0.81 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2PDPK1
SCHEMBL4137536 0.81 GAA (0.49) NPC1RAB9ASMN1; SMN2CYP1A2PDPK1
SCHEMBL30403190 0.80 CYP1A2 (0.80) CYP1A2PDPK1HDAC1HDAC8FFAR1
SCHEMBL1217683 0.80 CYP1A2 (0.80) CYP1A2PDPK1HDAC1HDAC8FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-29 US disclosed
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-22 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 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 (5 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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES RNGTT, RNMT, DNPEP IAPP 4246/4885NPC1 1375/4885RAB9A 1900/4885
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A IAPP 1022/4885NPC1 1331/4885RAB9A 1559/4885
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A IAPP 1022/4885NPC1 1331/4885RAB9A 1559/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS IAPP 945/4885NPC1 3288/4885RAB9A 2677/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS IAPP 945/4885NPC1 3288/4885RAB9A 2677/4885

“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.