SCHEMBL30128613

SCHEMBL30128613

CC(/C=[N+](\[O-])Cc1ccccc1)=C\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
AKR1C3 P42330 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
PRMT1 Q99873 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL29185751 1.00 FBP1 (0.46) FBP1ALDH1A1TSHRRECQLMAPT
SCHEMBL5873407 0.73 CES2 (0.45) ALDH1A1LMNACYP2C19
SCHEMBL5873408 0.73 CES2 (0.45) ALDH1A1LMNACYP2C19
SCHEMBL76727 0.72 BCHE (0.41) FBP1ALDH1A1TSHRRECQLMAPT
SCHEMBL20562244 0.72 BCHE (0.41) FBP1ALDH1A1TSHRRECQLMAPT
SCHEMBL268060 0.72 BCHE (0.41) FBP1ALDH1A1TSHRRECQLMAPT
SCHEMBL13624829 0.70 LOXL2 (0.39) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL5870169 0.70 LOXL2 (0.39) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL14631643 0.70 LOXL2 (0.39) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL29094779 0.69 TAAR1 (0.38) TSHRSMN1; SMN2NPC1RAB9A

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-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 US disclosed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN disclosed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 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 (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-20240294470-A1 FRAGRANCE COMPOUNDS FASN, FAAH2, FADS2 FBP1 190/4885ALDH1A1 27/4885TSHR 4742/4885

“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.