SCHEMBL1100398

SCHEMBL1100398

CC(=O)Oc1ccc(/C=C(\C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.60
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 1/20 0.54
ELANE P08246 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL1100400 1.00 AKR1C3 (0.60) AKR1C3LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL17368450 0.86 AKR1C3 (0.56) AKR1C3LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL28030366 0.84 AKR1C3 (0.55) AKR1C3LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2462984 0.84 AKR1C3 (0.82) AKR1C3KDM4ETP53ALDH1A1POLB
SCHEMBL2462983 0.84 AKR1C3 (0.82) AKR1C3KDM4ETP53ALDH1A1POLB
SCHEMBL9820525 0.84 MAPT (0.53) AKR1C3LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL9820523 0.84 MAPT (0.53) AKR1C3LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL20500020 0.83 AKR1C3 (0.62) AKR1C3MAPTKDM4ECYP3A4ALDH1A1
SCHEMBL1237224 0.83 AKR1C3 (0.62) AKR1C3MAPTKDM4ECYP3A4ALDH1A1
SCHEMBL1237225 0.83 AKR1C3 (0.62) AKR1C3MAPTKDM4ECYP3A4ALDH1A1

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-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 US disclosed
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
EP-0240184-B1 ALPHA-METHYLCINNAMIC ACID ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1991-08-21 EP disclosed
US-4751018-A DISCOLORATION INHIBITION MITSUBISHI RAYON COMPANY LTD. (JP) 1988-06-14 US disclosed
EP-0240184-A2 Alpha-Methylcinnamic acid ester derivative and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1987-10-07 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-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS ALB, AAAS, INF2 AKR1C3 2504/4885LMNA 3594/4885MAPT 1635/4885

“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.