SCHEMBL10165541

SCHEMBL10165541

CC(C)(C)C(=O)CCn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
CDK4 P11802 4/20 0.58
CCND1 P24385 4/20 0.58
MAPK1 P28482 4/20 0.56
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTT P42858 1/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPM5 Q9NZQ8 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
SCHEMBL12881191 0.82 LMNA (0.71) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL10203635 0.81 LMNA (0.69) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL3596244 0.81 LMNA (0.60) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL10165540 0.81 HTR2A (0.48) LMNACDK4CCND1HTR2AHTR2C
SCHEMBL29684637 0.80 LMNA (0.73) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL526317 0.80 LMNA (0.73) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL10165386 0.80 KMO (0.55) LMNACDK4CCND1HTR2AHTR2C
SCHEMBL7349228 0.79 LMNA (1.00) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL23844605 0.78 LMNA (0.65) LMNACDK4CCND1MAPK1KMT2A
SCHEMBL2037341 0.78 LMNA (0.65) LMNACDK4CCND1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 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 (2 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 LMNA 1009/4885CDK4 1107/4885CCND1 1385/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 LMNA 1009/4885CDK4 1107/4885CCND1 1385/4885

“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.