SCHEMBL22550189

SCHEMBL22550189

CC(=O)Nc1cc(C2(c3ccc(O)c(NC(C)=O)c3)c3ccccc3-c3ccccc32)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
KDM4E B2RXH2 3/20 0.52
HDAC1 Q13547 2/20 0.52
APOBEC3A P31941 1/20 0.52
GFER P55789 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
PHPT1 Q9NRX4 1/20 0.46
PDK2 Q15119 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 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
SCHEMBL4962114 0.80 LMNA (0.64) ESR1ESR2KDM4EHDAC1APOBEC3A
SCHEMBL17991076 0.80 KMT2A (0.56) ESR1ESR2HDAC1POLBSMN1; SMN2
SCHEMBL31627918 0.79 HDAC1 (0.58) ESR1ESR2KDM4EHDAC1SMN1; SMN2
SCHEMBL30388573 0.79 HDAC1 (0.58) ESR1ESR2KDM4EHDAC1POLB
SCHEMBL16423991 0.79 HDAC1 (0.58) ESR1ESR2KDM4EHDAC1POLB
SCHEMBL1108319 0.79 ESR1 (0.44) ESR1ESR2HDAC1POLBMEN1
SCHEMBL16424476 0.77 HDAC1 (0.60) ESR1ESR2KDM4EHDAC1SMN1; SMN2
SCHEMBL29838140 0.77 HDAC1 (0.60) ESR1ESR2KDM4EHDAC1SMN1; SMN2
SCHEMBL11940934 0.77 KMT2A (0.62) KDM4EPOLBSMN1; SMN2LMNAPDK2
SCHEMBL22550191 0.76 LIG1 (0.38) ESR1ESR2KDM4EPOLBSMN1; SMN2

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-10981865-B2 Substituted or unsubstituted allyl group-containing maleimide compound, production method therefor, and composition and cured product using said compound DIC CORPORATION (JP) 2021-04-20 US disclosed
US-20200325101-A1 SUBSTITUTED OR UNSUBSTITUTED ALLYL GROUP-CONTAINING MALEIMIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND COMPOSITION AND CURED PRODUCT USING SAID COMPOUND DIC CORPORATION (JP) 2020-10-15 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 (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-10981865-B2 Substituted or unsubstituted allyl group-containing maleimide compound, production method therefor, and composition and cured product using said compound BMI1, WEE1, WEE2 ESR1 200/4885ESR2 757/4885KDM4E 51/4885
US-20200325101-A1 SUBSTITUTED OR UNSUBSTITUTED ALLYL GROUP-CONTAINING MALEIMIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND COMPOSITION AND CURED PRODUCT USING SAID COMPOUND BMI1, WEE1, WEE2 ESR1 200/4885ESR2 757/4885KDM4E 51/4885

“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.