Sugi Predict

Sugi Predict / Compounds / SCHEMBL4407340

SCHEMBL4407340

SCHEMBL4407340

CC(=O)c1ccc2c(c1)C(C)(C)C(C)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.48
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1B1 P15121 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CYP2A6 P11509 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ RXRB P28702 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 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
SCHEMBL10842199 0.81 GAA (0.47) RXRARXRBMAPK1ALDH1A1RARB
SCHEMBL9520091 0.80 RXRA (0.43) RXRANPC1RAB9APDK2
SCHEMBL8522801 0.80 RXRA (0.60) RXRARXRBRARBRARGRXRG
SCHEMBL12620671 0.78 RXRA (0.42) RXRAMAPTNPC1RAB9AAKR1B1
SCHEMBL9586891 0.77 KMT2A (0.47) RXRARAB9APKMALDH1A1HPGD
SCHEMBL4882222 0.76 RARG (0.66) RXRANPC1RAB9ARXRBALDH1A1
SCHEMBL4882218 0.76 RARG (0.66) RXRANPC1RAB9ARXRBALDH1A1
SCHEMBL10356205 0.76 RXRA (0.43) RXRANPC1RAB9ARXRBALDH1A1
SCHEMBL8776390 0.76 RXRA (0.44) RXRAMAPTRXRBMAPK1ALDH1A1
SCHEMBL4882212 0.76 RARG (0.66) RXRANPC1RAB9ARXRBALDH1A1

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 — — US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 — — EP claimed
US-6939845-B2 Fragrance precursors GIVAUDAN SA (CH) 2005-09-06 — — US claimed
EP-1167362-B1 Fragance precursors GIVAUDAN SA (CH) 2005-05-25 — — EP claimed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 — — US claimed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 — — US claimed
US-20020035055-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-03-21 — — US claimed
EP-1167362-A1 Fragance precursors Givaudan SA (CH) 2002-01-02 — — EP claimed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 — — EP claimed
US-10941156-B2 Cyclic ketals as fragrance precursor compounds HENKEL AG & CO. KGAA (DE) 2021-03-09 — — US disclosed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 — — US disclosed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 — — EP disclosed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 — — WO disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 — — US disclosed
US-4980509-A Aromatic polycyclic derivatives, their process of preparation and their use in human and veterinary medicine and in cosmetics SOCIETE ANONYME DITE: L'OREAL (FR) 1990-12-25 — — US disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 — — EP disclosed
US-4806558-A Diarylacetylenes and their use in treating acne BASF AKTIENGESELLSCHAFT (DE) 1989-02-21 — — US disclosed
EP-0294746-A1 Bicyclic nitro compounds L. GIVAUDAN & CIE Société Anonyme (CH) 1988-12-14 — — EP disclosed
EP-0176033-A2 Isoxazolecarboxylic-acid derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 — — EP disclosed
EP-0176034-A2 Diaryl acetylenes, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 — — 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 (5 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-10941156-B2 Cyclic ketals as fragrance precursor compounds KCNK5, KLK5, KCNA1 RXRA 3946/4885MAPT 4212/4885NPC1 2638/4885
US-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 RXRA 917/4885MAPT 4053/4885NPC1 2329/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 RXRA 3946/4885MAPT 4212/4885NPC1 2638/4885
US-20020035055-A1 Fragrance precursors FAAH2, FDPS, CYP51A1 RXRA 1950/4885MAPT 2981/4885NPC1 2313/4885
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 RXRA 2542/4885MAPT 1653/4885NPC1 3689/4885

“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.