SCHEMBL3369104

SCHEMBL3369104

CC(=O)OC(=O)Cc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CTBP2 P56545 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL6455146 0.90 KMT2A (0.50) KMT2ACTBP2L3MBTL1NPC1RAB9A
SCHEMBL4659000 0.84 CA2 (0.52) KMT2ACTBP2LMNAL3MBTL1NPC1
SCHEMBL4641827 0.82 POLB (0.54) KMT2ACTBP2L3MBTL1NPC1RAB9A
SCHEMBL27511512 0.82 LOXL2 (0.47) KMT2ACYP4F2CYP4A11
SCHEMBL4642293 0.82 KMT2A (0.49) KMT2ACTBP2LMNATDP1MEN1
SCHEMBL28629859 0.82 KMT2A (0.61) KMT2ACTBP2LMNAL3MBTL1NPC1
SCHEMBL7896900 0.82 CYP4F2 (0.42) KMT2ALMNAL3MBTL1TDP1CYP4F2
SCHEMBL248114 0.82 TSHR (0.58) KMT2ALMNAL3MBTL1MEN1
SCHEMBL287998 0.81 CYP4F2 (0.50) KMT2ALMNAL3MBTL1TDP1MAPT
SCHEMBL3231401 0.81 KMT2A (0.58) KMT2ACTBP2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458742-B1 SOLVATES OF 3.BETA.,28-DIACETOXY-18-OXO-19,20,21,29,30-PENTANORLUPAN-22-OIC ACID, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CYCLACEL LTD (GB) 2010-10-13 EP disclosed
US-7312356-B2 Medicament CYCLACEL LIMITED (GB) 2007-12-25 US disclosed
US-20050159484-A1 Medicament CYCLACEL LIMITED (GB) 2005-07-21 US disclosed
EP-1458742-A2 SOLVATES OF 3.BETA.,28-DIACETOXY-18-OXO-19,20,21,29,30-PENTANORLUPAN-22-OIC ACID, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF Cyclacel Limited (GB) 2004-09-22 EP disclosed
WO-2003045971-A2 SOLVATES OF 3.BETA., 28-DIACETOXY-18-OXO-19, 20, 21, 29, 30-PENTANORLUPAN-22-OIC ACID, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CYCLACEL LIMITED (GB) 2003-06-05 WO disclosed
US-4167407-A 1-Thiadiazolyl-5-acylimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1979-09-11 US disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 US disclosed
US-4006009-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-02-01 US disclosed
US-4004912-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-01-25 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-20050159484-A1 Medicament CYP27A1, CYP11B2, CYP46A1 KMT2A 4373/4885CTBP2 4472/4885LMNA 788/4885

“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.