SCHEMBL11038353

SCHEMBL11038353

Cc1c(O)ccc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.52
▸ GABRB2 P47870 4/20 0.52
▸ GABRB1 P18505 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ FAAH O00519 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52

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
SCHEMBL16789571 0.85 GABRA1 (0.56) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL5394172 0.83 LMNA (0.52) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL29849603 0.83 LMNA (0.52) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL15011592 0.81 LMNA (0.50) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL366229 0.81 GABRA1 (0.52) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL487169 0.80 GABRA1 (0.56) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL9497827 0.79 TYR (0.40) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL1981588 0.79 LMNA (0.48) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL9556357 0.79 GABRA1 (0.50) GABRA1GABRB2GABRB1LMNASLC6A2
SCHEMBL29699645 0.79 GABRA1 (0.68) GABRA1GABRB2GABRB1LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144965-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT THE UNIVERSITY OF KANSAS 2017-05-25 — — US disclosed
EP-0076221-B1 PROCESS FOR THE ETHERIFICATION OF PHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-05-02 — — EP disclosed
EP-0037353-B1 PROCESS FOR THE ETHERIFICATION OF PHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-06-08 — — EP disclosed
EP-0076221-A1 Process for the etherification of phenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-04-06 — — EP disclosed
EP-0046719-A1 Process for the etherification of phenols RHONE-POULENC INDUSTRIES (FR) 1982-03-03 — — EP disclosed
EP-0037353-A1 Process for the etherification of phenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-10-07 — — 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-20170144965-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT COIL, MUC1, MAN2B2 GABRA1 3312/4885GABRB2 2465/4885GABRB1 2250/4885

“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.

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