SCHEMBL7112031

SCHEMBL7112031

C=CCNC(=O)c1cc(C(=O)NCC=C)cc(C(=O)NCC=C)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.75
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 9/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
PKM P14618 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL31574337 0.92 RAB9A (0.66) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL6013184 0.90 RAB9A (0.64) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL8088101 0.90 RAB9A (0.64) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL7110355 0.88 HPGD (0.67) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL2385213 0.86 HPGD (0.76) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16263501 0.86 RAB9A (0.64) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16263520 0.86 RAB9A (0.64) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL17152696 0.84 RAB9A (0.57) RAB9ASMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL7047963 0.84 RAB9A (0.57) RAB9ASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL6013323 0.84 RAB9A (0.57) RAB9ASMN1; SMN2HPGDALDH1A1LMNA

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-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
US-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
US-20200131383-A1 THREE-DIMENSIONAL PRINTING WITH SUPRAMOLECULAR TEMPLATED HYDROGELS TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-04-30 US disclosed
US-20040010028-A1 Self-assembled nanostructures with macroscopic polar order TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2004-01-15 US disclosed
WO-2002044124-A9 SELF-ASSEMBLED NANOSTRUCTURES WITH MACROSCOPIC POLAR ORDER UNIV COLUMBIA (US) 2003-11-13 WO disclosed
WO-2002044124-A2 SELF-ASSEMBLED NANOSTRUCTURES WITH MACROSCOPIC POLAR ORDER THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2002-06-06 WO 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-20040010028-A1 Self-assembled nanostructures with macroscopic polar order PIEZO1, PYM1, KCNH1 RAB9A 2310/4885SMN1; SMN2 3585/4885HPGD 4670/4885

“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.