SCHEMBL2636852

SCHEMBL2636852

COC(=O)c1ccccc1NC=CC(C)CCCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 2/20 0.42
GLA P06280 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL30754347 1.00 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL21802957 1.00 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17822456 0.76 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17822457 0.76 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL31354820 0.76 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7872330 0.74 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL7872331 0.74 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17822460 0.70 KMT2A (0.39) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL17833406 0.70 KMT2A (0.39) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
Methyl Anthranilate SCHEMBL4120840 0.69 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN claimed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO disclosed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN disclosed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
US-11141366-B2 Perfuming composition FIRMENICH SA (CH) 2021-10-12 US disclosed
US-20210145715-A1 PERFUMING COMPOSITION FIRMENICH SA (CH) 2021-05-20 US disclosed
EP-3621580-B1 PROCESS FOR PREPARING A PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2021-04-21 EP disclosed
US-10829716-B2 Process for preparing a perfuming composition FIRMENICH SA (CH) 2020-11-10 US disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US disclosed
US-20200095518-A1 PROCESS FOR PREPARING A PERFUMING COMPOSITION FIRMENICH SA (CH) 2020-03-26 US disclosed
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP disclosed
EP-2437718-A1 PHENOL ESTER AS PERFUMING INGREDIENT Firmenich S.A. (CH) 2012-04-11 EP disclosed
WO-2010140076-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2010-12-09 WO disclosed
US-5346885-A ADDING A POLYCYCLIC KETONIC COMPOUND TO CONFER, IMPROVE, ENHANCE OR MODIFY THE ODOR PROPERTIES OF A PERFUME FIRMENICH S.A. (CH) 1994-09-13 US 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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 KDM4E 3556/4885ALDH1A1 831/4885SMN1; SMN2 1562/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 KDM4E 3556/4885ALDH1A1 831/4885SMN1; SMN2 1562/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 KDM4E 3556/4885ALDH1A1 831/4885SMN1; SMN2 1562/4885

“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.