SCHEMBL1472375

SCHEMBL1472375

CCCCC(CC)CN(CCCCCC(=O)OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL11904607 0.84 ALDH1A1 (0.43) CYP3A4TSHRHDAC6HDAC3HDAC1
SCHEMBL1472666 0.82 ALDH1A1 (0.43) PPARGCYP3A4TSHRALDH1A1CA2
SCHEMBL1472532 0.82 ALDH1A1 (0.43) CYP3A4HDAC6HDAC3HDAC1HDAC2
SCHEMBL8438809 0.81 ALDH1A1 (0.46) CYP3A4TSHRTDP1HDAC6HDAC3
SCHEMBL8440732 0.79 ALDH1A1 (0.46) CYP3A4TSHRTDP1HDAC6HDAC3
SCHEMBL411184 0.77 ALDH1A1 (0.49) CYP3A4TSHRTDP1HDAC6HDAC3
SCHEMBL8435861 0.76 KCNH2 (0.45) TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11413011 0.76 ALDH1A1 (0.48) CYP3A4TSHRTDP1HDAC6HDAC3
SCHEMBL10526481 0.76 LMNA (0.51) TSHRALDH1A1LMNAKDM4ERAB9A
SCHEMBL8438717 0.74 ALDH1A1 (0.47) CYP3A4TSHRTDP1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915428-B2 Photorefractive dendron compound, photorefractive dendrimer compound, method of preparing the same, photorefractive device using the same, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-09-10 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-20090223627-A1 PHOTOREFRACTIVE DENDRON COMPOUND, PHOTOREFRACTIVE DENDRIMER COMPOUND, METHOD OF PREREPARING THE SAME, PHOTOREFRACTIVE DEVICE USING THE SAME, AND METHOD OF MANUFACTURING THE DEVICE KISS1R, CROCC, DBN1 PPARG 443/4885CYP3A4 242/4885TSHR 2090/4885

“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.