SCHEMBL3948331

SCHEMBL3948331

CC(C)(C)c1ccc(C(=CC=CC(=O)O)c2ccco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AURKA O14965 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL3948328 1.00 KMT2A (0.51) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL3939680 0.87 RAB9A (0.41) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL3939676 0.87 RAB9A (0.41) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL3939684 0.87 RAB9A (0.41) KMT2AKDM4EMEN1CYP1A2CYP2C9
SCHEMBL3941949 0.85 RAB9A (0.50) KMT2AKDM4EHPGDMAPTRECQL
SCHEMBL3941948 0.85 RAB9A (0.50) KMT2AKDM4EHPGDMAPTRECQL
SCHEMBL3941945 0.85 RAB9A (0.50) KMT2AKDM4EHPGDMAPTRECQL
SCHEMBL4092546 0.83 SRD5A2 (0.49) KMT2AMEN1CYP1A2HPGDMAPT
SCHEMBL3937848 0.83 SRD5A2 (0.49) KMT2AMEN1CYP1A2HPGDMAPT
SCHEMBL3938832 0.83 ALDH1A1 (0.47) KMT2AMEN1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 KMT2A 772/4885KDM4E 212/4885MEN1 291/4885

“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.