SCHEMBL16223153

SCHEMBL16223153

Cc1[c]ccc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1B10 O60218 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
DHFR P00374 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL8644706 0.81 KDM4E (0.38) MEN1KMT2ATDP1KDM4ETSHR
SCHEMBL7771345 0.81 KMT2A (0.39) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL1099822 0.78 TSHR (0.41) KMT2ATDP1KDM4ETSHRALDH1A1
SCHEMBL753675 0.74 ALDH1A1 (0.48) KMT2ATDP1KDM4ETSHRALDH1A1
SCHEMBL128319 0.73 CYP1A2 (0.58) MEN1KMT2ATDP1KDM4ETSHR
SCHEMBL31389208 0.73 CYP1A2 (0.58) MEN1KMT2ATDP1KDM4ETSHR
SCHEMBL8529933 0.72 ALDH1A1 (0.43) KMT2ATDP1KDM4ETSHRALDH1A1
Ammonia Solution, Strong SCHEMBL29137499 0.71 CYP1A2 (0.55) MEN1KMT2ATDP1KDM4ETSHR
SCHEMBL125358 0.71
SCHEMBL29370019 0.70 CYP1A2 (0.48) MEN1KMT2ATDP1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150140088-A1 SPIROSTEROID SYSTEMS ACTING AS NEUROPROTECTIVE AND ANTI-INFLAMMATORY AGENTS CENTRO DE INVESTIGACION Y DESARROLLO DE LOS MEDICAMENTOS (CIDEM) (CU) 2015-05-21 US disclosed
EP-2801581-A1 SPIROSTEROIDAL SYSTEMS HAVING NEUROACTIVE, ANTI-INFLAMMATORY EFFECTS Centro de Investigación y Desarrollo de los Medicamentos (CIDEM) (US) 2014-11-12 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-20150140088-A1 SPIROSTEROID SYSTEMS ACTING AS NEUROPROTECTIVE AND ANTI-INFLAMMATORY AGENTS NR3C2, GRIN3A, CYP46A1 MEN1 4497/4885KMT2A 3539/4885TDP1 2549/4885

“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.