SCHEMBL8906169

SCHEMBL8906169

CC(C)(C)C(=O)C(C)(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MAPT P10636 1/20 0.61
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
KCNN4 O15554 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 2/20 0.41

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
SCHEMBL25049822 0.90 MAPT (0.67) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL10384198 0.84 MAPT (0.59) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL7708598 0.82 MAPT (0.63) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL12868270 0.81 HDAC3 (0.57) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL409257 0.81 KCNN4 (0.54) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL6571 0.80 MAPT (0.67) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL12344625 0.79 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL11536202 0.79 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL408186 0.79 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3
SCHEMBL8910393 0.79 KMT2A (0.48) KMT2AMAPTCYP2C19HIF1AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (7 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MAPT 4133/4885CYP2C19 418/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MAPT 4133/4885CYP2C19 418/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 1865/4885MAPT 4471/4885CYP2C19 180/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885MAPT 4133/4885CYP2C19 418/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KMT2A 2844/4885MAPT 4186/4885CYP2C19 431/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KMT2A 2014/4885MAPT 4073/4885CYP2C19 392/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KMT2A 1492/4885MAPT 4391/4885CYP2C19 105/4885

“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.