SCHEMBL11223734

SCHEMBL11223734

Cc1cccc2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TDP2 O95551 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
NQO1 P15559 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL15075059 0.84 HTR2C (0.47) IDO1LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL435089 0.81 LMNA (0.49) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL30609047 0.80 TRPM8 (0.40) IDO1LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL9749197 0.80 SSTR5 (0.37) IDO1LMNAHPGDHTR2CSSTR5
SCHEMBL17208928 0.80 HTR2C (0.36) HTR2CDRD2HTR2ATRPM8L3MBTL1
SCHEMBL8376689 0.78 AKT1 (0.41) LMNAL3MBTL1
SCHEMBL20819453 0.78 AKT1 (0.41) LMNAL3MBTL1
SCHEMBL9333780 0.78 HPGD (0.40) IDO1LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL9928158 0.77 HPGD (0.51) LMNARAB9AKMT2AMALT1HPGD
SCHEMBL13422911 0.77 IDO1 (0.36) IDO1LMNAALDH1A1TP53SMN1; SMN2

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
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-4316912-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-02-23 US disclosed
EP-0000936-A1 4-Indanyl esters of N-alkyl carbamic acid, processes for their preparation and their use as pesticides BAYER AG (DE) 1979-03-07 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 IDO1 1564/4885LMNA 2943/4885ALDH1A1 1599/4885

“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.