SCHEMBL3781685

SCHEMBL3781685

O=C(OC1CC2CC1C1C(=O)OC(=O)C21)c1ccc(C(=O)OC2CC3CC2C2C(=O)OC(=O)C32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL9531867 0.80 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL16737003 0.75 GPX4 (0.34) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL1286161 0.73 KDM4E (0.32) PPM1BRAB9ASMN1; SMN2KDM4ETP53
SCHEMBL12254772 0.72 HMGCR (0.36) SMN1; SMN2KDM4EALDH1A1TP53CHRM1
SCHEMBL6104114 0.72
SCHEMBL21500160 0.69 KDM4E (0.41) PPM1BRAB9ASMN1; SMN2KDM4ETP53
SCHEMBL14236960 0.69 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL5192078 0.69
SCHEMBL14838639 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13170572 0.68 KMT2A (0.37) SMN1; SMN2ALDH1A1HPGD

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-7795370-B2 Tetracarboxylic acid compound, polyimide thereof, and production method thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-14 US disclosed
US-20090182114-A1 TETRACARBOXYLIC ACID COMPOUND, POLYIMIDE THEREOF, AND PRODUCTION METHOD THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2009-07-16 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-20090182114-A1 TETRACARBOXYLIC ACID COMPOUND, POLYIMIDE THEREOF, AND PRODUCTION METHOD THEREOF CA1, TTC14, F12 PPM1B 4203/4885RAB9A 2963/4885NPC1 4368/4885

“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.