SCHEMBL18535593

SCHEMBL18535593

CCc1ccc(-c2cc3ccc(O)cc3oc2=S)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GLA P06280 2/20 0.45
FLT3 P36888 1/20 0.42
ESR2 Q92731 1/20 0.42
MIF P14174 10/20 0.41
PFKFB3 Q16875 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.41
POLB P06746 2/20 0.41
HSD17B3 P37058 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18535562 0.86 MEN1 (0.57) MEN1KMT2AGLAESR2MIF
SCHEMBL18535466 0.82 GPR55 (0.44) GLACA12CA1CA9NPC1
SCHEMBL23713466 0.81 CA12 (0.48) GLACA12CA1CA9POLB
SCHEMBL23713467 0.79 CA12 (0.35) MEN1KMT2AGLACA12CA1
SCHEMBL18535548 0.75 ESR2 (0.49) MEN1KMT2AGLAESR2MIF
SCHEMBL23683806 0.72 ESR1 (0.47) MEN1KMT2AGLAESR2MIF
SCHEMBL23316808 0.72 ESR2 (0.76) MEN1KMT2AGLAESR2MIF
SCHEMBL21735206 0.72 ALOX5 (0.47) MEN1KMT2APTGS1ERAP1KDM4E
SCHEMBL21116073 0.72 MEN1 (0.53) MEN1KMT2AGLAESR2MIF
SCHEMBL21116525 0.70 ESR1 (0.46) MEN1KMT2AGLAESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327779-A2 SYSTEM AND METHOD AMO Ireland (IE) 2024-02-28 EP disclosed
EP-3958788-B1 SYSTEM AND METHOD AMO Ireland (IE) 2023-11-22 EP disclosed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed
US-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
US-11078177-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-08-03 US disclosed
US-10457658-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2019-10-29 US disclosed
WO-2017032442-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
EP-3133065-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 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 (3 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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A MEN1 2466/4885KMT2A 4409/4885GLA 315/4885
US-10457658-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A MEN1 2466/4885KMT2A 4409/4885GLA 315/4885
US-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A MEN1 2466/4885KMT2A 4409/4885GLA 315/4885

“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.