SCHEMBL22980343

SCHEMBL22980343

Cc1cc(C(C)(C)CO)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 2/20 0.52
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
SHBG P04278 1/20 0.38
ALDH1A1 P00352 4/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7944825 0.81 ESR1 (0.52) ESR1ESR2CA2CA1CNR1
SCHEMBL1538639 0.81 ESR1 (0.64) ESR1ESR2CA2CA1CYP1A2
SCHEMBL10495879 0.79 ALDH1A1 (0.42) CA2CA1CNR1CNR2CYP1A2
SCHEMBL200257 0.79 SHBG (0.54) ESR1ESR2CA2CA1CYP1A2
SCHEMBL15678401 0.78 CNR2 (0.56) CA2CNR1CNR2CYP1A2CYP2C9
SCHEMBL15506136 0.78 GABRA1 (0.50) ESR1ESR2CNR1CNR2CYP1A2
SCHEMBL13199326 0.74 ESR1 (0.50) ESR1ESR2CA2CA1CYP1A2
SCHEMBL12710437 0.74 CNR1 (0.53) ESR1ESR2CNR1CNR2SHBG
SCHEMBL9774879 0.74 ESR1 (0.45) ESR1ESR2CA2CA1CYP1A2
SCHEMBL143803 0.74 PTGS1 (0.47) ESR1ESR2CA2CA1CNR1

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
EP-4013379-B1 NO STAINING ANTIPERSPIRANT COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2025-01-08 EP claimed
US-20220257480-A1 AN ANTIPERSPIRANT COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2022-08-18 US claimed
EP-4013379-A1 AN ANTIPERSPIRANT COMPOSITION Unilever IP Holdings B.V. (NL) 2022-06-22 EP claimed
WO-2021028180-A1 AN ANTIPERSPIRANT COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2021-02-18 WO claimed
EP-4013379-B1 NO STAINING ANTIPERSPIRANT COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2025-01-08 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 (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-20220257480-A1 AN ANTIPERSPIRANT COMPOSITION CUTA, TYR, DSG1 ESR1 676/4885ESR2 1666/4885CA2 3095/4885

“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.