SCHEMBL21858932

SCHEMBL21858932

C=C1CCOC(CCCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 3/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 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
SCHEMBL51024 0.75 MEN1 (0.69) MEN1KMT2ATAAR1
SCHEMBL859158 0.74 RAB9A (0.52) MEN1KMT2A
SCHEMBL13423728 0.72 MEN1 (0.53) DRD4MEN1KMT2ASIGMAR1CYP1A2
SCHEMBL11358847 0.72 SLC6A2 (0.47) DRD4MEN1KMT2A
SCHEMBL15683024 0.72 DRD4 (0.49) DRD4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21858962 0.70 MEN1 (0.43) DRD4MEN1KMT2ASIGMAR1CYP3A4
SCHEMBL51135 0.70 MEN1 (0.67) MEN1KMT2ATAAR1
SCHEMBL10750642 0.69 SMN1; SMN2 (0.46) MEN1KMT2ASIGMAR1
SCHEMBL10487984 0.68 MEN1 (0.65) MEN1KMT2ASIGMAR1TAAR1
SCHEMBL9136546 0.68 MEN1 (0.65) MEN1KMT2ASIGMAR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018229-B2 Organic compounds GIVAUDAN SA (CH) 2024-06-25 US disclosed
US-20210355411-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-11-18 US disclosed
WO-2020079052-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-04-23 WO 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-20210355411-A1 ORGANIC COMPOUNDS TRPA1, DHODH, QDPR DRD4 76/4885MEN1 4078/4885KMT2A 2866/4885
US-12018229-B2 Organic compounds TRPA1, DHODH, QDPR DRD4 76/4885MEN1 4078/4885KMT2A 2866/4885

“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.