SCHEMBL12974965

SCHEMBL12974965

CC(=O)C1CCC(C(C)=O)C2C(=O)OC(=O)C12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ PPM1B O75688 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PPP1CC P36873 1/20 0.43
▸ TFPI2 P48307 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PPP5C P53041 1/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ THPO P40225 1/20 0.43

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
SCHEMBL24084120 0.77 FNTA (0.33) —
SCHEMBL15087028 0.77 KDM4E (0.31) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL11278993 0.74 PPM1B (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL24084126 0.74 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12291313 0.74 FNTA (0.32) —
SCHEMBL27421570 0.73 ALDH1A1 (0.33) RAB9ASMN1; SMN2TDP1
SCHEMBL13891810 0.71 LMNA (0.33) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL19658368 0.71 LMNA (0.36) KDM4ELMNARAB9APMP22CYP2D6
SCHEMBL18769019 0.71 LMNA (0.36) KDM4ELMNARAB9APMP22CYP2D6
SCHEMBL21475793 0.70 LMNA (0.32) KDM4EGMNNPPM1BLMNAPPP1CC

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-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 — — US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 — — 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-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 KDM4E 4877/4885GMNN 505/4885PPM1B 3821/4885

“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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