SCHEMBL17754306

SCHEMBL17754306

C=C(C)C(=O)COc1ccc(-c2ccc(OCC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SRD5A2 P31213 1/20 0.44
GPR174 Q9BXC1 1/20 0.44
ALDH1A1 P00352 5/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20082988 0.90 ELANE (0.49) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL17754314 0.85 RARA (0.41) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL17754316 0.85 HSD17B1 (0.39) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL17754308 0.85 FFAR1 (0.48) MAPTLMNAALDH1A1
SCHEMBL13428308 0.85 ALOX15 (0.59) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL17754302 0.83 KMT2A (0.47) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL12242494 0.82 FFAR1 (0.41) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL24932778 0.80 SMN1; SMN2 (0.50) MAPTSMN1; SMN2RAB9AGPR174ALDH1A1
SCHEMBL7514064 0.80 POLB (0.53) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17082419 0.80 POLB (0.39) MAPTLMNASMN1; SMN2SRD5A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 MAPT 66/4885LMNA 433/4885NPC1 2708/4885

“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.