SCHEMBL17748388

SCHEMBL17748388

C=C(C)Cc1ccc(CC=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CAMK2A Q9UQM7 1/20 0.31

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
SCHEMBL6015468 0.83 ALDH1A1 (0.38) HSD17B10ALDH1A1HPGDSMN1; SMN2THRA
SCHEMBL9636815 0.83 ALDH1A1 (0.50) HSD17B10CYP1A2CYP2D6MAPK1ALDH1A1
SCHEMBL9420430 0.82 ALDH1A1 (0.39) HSD17B10ALDH1A1HPGDSMN1; SMN2THRA
SCHEMBL10737557 0.81 KMT2A (0.44) HSD17B10ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19186627 0.80 POLB (0.50) HSD17B10CYP1A2CYP2D6MAPK1ALDH1A1
SCHEMBL17748377 0.79 SRC (0.31) —
SCHEMBL934053 0.78 KMT2A (0.40) HSD17B10ALDH1A1TRPA1THRATHRB
SCHEMBL14495580 0.77 POLB (0.52) HSD17B10ALDH1A1HPGDTHRATHRB
SCHEMBL23230257 0.77 LMNA (0.43) HSD17B10CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL17748394 0.76 ESR1 (0.37) ALDH1A1POLBTSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074714-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2020-11-06 — — CN disclosed
US-10138195-B2 Organic compounds Givaudan, S.A. (CH) 2018-11-27 — — US disclosed
US-20170297993-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2017-10-19 — — US disclosed
EP-3218342-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan S.A. (CH) 2017-09-20 — — EP disclosed
WO-2016074698-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-05-19 — — 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-10138195-B2 Organic compounds CHRM4, CHRM5, CHRM1 HSD17B10 912/4885CYP1A2 588/4885CYP2D6 221/4885
US-20170297993-A1 ORGANIC COMPOUNDS CHRM4, CHRM5, CHRM1 HSD17B10 912/4885CYP1A2 588/4885CYP2D6 221/4885

“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.

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