SCHEMBL11974262

SCHEMBL11974262

COc1cc(C)c(C(C)C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NQO2 P16083 2/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL2629462 0.87 ALDH1A1 (0.48) ALDH1A1GAAHPGDCA12CA1
SCHEMBL11983792 0.87 ALDH1A1 (0.48) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL13681512 0.81 ACHE (0.48) ALDH1A1GAAPOLBGFERPDE3B
SCHEMBL13748161 0.79 ALDH1A1 (0.40) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL20148897 0.78 ALDH1A1 (0.48) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL25955631 0.78 MAPK1 (0.50) KDM4ETDP1POLBGFERCYP3A4
SCHEMBL16018034 0.78 TAAR1 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL31439156 0.78 MAPK1 (0.50) KDM4ETDP1POLBGFERCYP3A4
SCHEMBL19869248 0.78 MAP3K14 (0.41) ALDH1A1GAAPOLBGFERPDE3B
SCHEMBL20375023 0.78 TAAR1 (0.41) ALDH1A1HPGDNQO2CYP1A2CYP1A1

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
US-11912736-B2 Diaryl trehalose compounds and uses thereof THE UNIVERSITY OF MONTANA (US) 2024-02-27 US disclosed
US-20230127371-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-04-27 US disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-07 US disclosed
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-29 US disclosed
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER N.V. (NL) 2014-09-11 US disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 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-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 ALDH1A1 415/4885GAA 318/4885KDM4E 2983/4885
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 ALDH1A1 415/4885GAA 318/4885KDM4E 2983/4885
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ALDH1A1 313/4885GAA 99/4885KDM4E 116/4885
US-20230127371-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TNNI3, TNNT2, REN ALDH1A1 1506/4885GAA 2828/4885KDM4E 3219/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 ALDH1A1 2576/4885GAA 2760/4885KDM4E 4080/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ALDH1A1 313/4885GAA 99/4885KDM4E 116/4885
US-11912736-B2 Diaryl trehalose compounds and uses thereof TREH, STT3B, DDOST ALDH1A1 3190/4885GAA 39/4885KDM4E 4381/4885

“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.