SCHEMBL6208942

SCHEMBL6208942

COc1c(C)cccc1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
SCN4A P35499 3/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTPN1 P18031 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL4219544 0.87 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD
SCHEMBL17499011 0.85 TSHR (0.37) TSHRALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL263687 0.79 SMN1; SMN2 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL16958921 0.79 TSHR (0.40) TSHRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL10070159 0.79 TSHR (0.61) TSHRALDH1A1KDM4EL3MBTL1MAOA
SCHEMBL17194896 0.79 TSHR (0.40) TSHRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL6331609 0.78 CA1 (0.52) TSHRALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL8388083 0.78 NQO2 (0.36) TSHRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL2381283 0.78 KDM4E (0.40) TSHRALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL2092150 0.78 KMT2A (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
CN-105652596-B Colored photosensitive resin composition 住友化学株式会社 2019-12-20 CN disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 TSHR 3288/4885ALDH1A1 14/4885KDM4E 1277/4885

“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.