SCHEMBL9119059

SCHEMBL9119059

CC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HPN P05981 1/20 0.53
ALOX15 P16050 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
VCAM1 P19320 10/20 0.47
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL18655639 0.90 CYP1A2 (0.47) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL4397391 0.86 HPN (0.53) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9411884 0.84 ALDH1A1 (0.56) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9497169 0.83 HPN (0.50) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9550709 0.83 HPN (0.50) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8309680 0.81 HPN (0.49) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8309677 0.81 MAPT (0.49) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL9550716 0.80 HPN (0.47) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL8335793 0.80 GAA (0.57) MAPTHPNALOX15SIRT5ALDH1A1
SCHEMBL5692187 0.79 ALOX15 (0.63) MAPTHPNALOX15SIRT5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147279-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF Fuji Chemical Industry Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF FUJI CHEMICAL INDUSTRIES CO., LTD. (JP) 2017-03-23 US disclosed
WO-2015178404-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF 富士化学工業株式会社 2015-11-26 WO disclosed
US-5442111-A Antiinflammatory agent, antiallergens WARNER-LAMBERT COMPANY (US) 1995-08-15 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 (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-20170081289-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF NR2E3, NR3C2, NR5A1 MAPT 4271/4885HPN 2729/4885ALOX15 298/4885

“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.