SCHEMBL10173404

SCHEMBL10173404

CC(C)(C)c1ccc2cc(C(C)(C)C)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 5/20 0.35
PON1 P27169 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 1/20 0.33
DRD4 P21917 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33

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
SCHEMBL20618656 0.87 ALDH1A1 (0.34) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10173405 0.84 ADAM17 (0.43) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL20618591 0.84 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL18469476 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10TDP1MEN1
SCHEMBL15430954 0.80 TSHR (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL12937258 0.78 APP (0.41) ALDH1A1ALOX15HPGDTDP1CYP19A1
SCHEMBL22703864 0.78 HSD17B3 (0.51) ALDH1A1HPGDHSD17B10TDP1MEN1
SCHEMBL13923567 0.78 CA12 (0.46) ALOX15CYP19A1MAPTLMNAMAOB
SCHEMBL23421203 0.78 ALDH1A1 (0.36) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL12269140 0.77 NPC1 (0.53) ALDH1A1ALOX15HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20230002769-A1 APTAMER NUCLEIC ACID MOLECULE, AND COMPLEX AND APPLICATION THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-01-05 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-20220214351-A1 FLUORESCENT DYE, PREPARATION METHOD AND USES THEREOF FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-07-07 US disclosed
US-11130749-B2 2021-09-28 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 US disclosed
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-18 US disclosed
US-20170340733-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2017-11-30 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 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 (11 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ALDH1A1 787/4885ALOX15 3215/4885HPGD 4263/4885
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ALDH1A1 4513/4885ALOX15 2150/4885HPGD 833/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885ALOX15 1548/4885HPGD 3468/4885
US-20170340733-A1 COMBINATION THERAPIES BRCA1, TP53, VHL ALDH1A1 294/4885ALOX15 2963/4885HPGD 762/4885
US-20230002769-A1 APTAMER NUCLEIC ACID MOLECULE, AND COMPLEX AND APPLICATION THEREOF DNTT, TIA1, TIAL1 ALDH1A1 3270/4885ALOX15 4726/4885HPGD 4867/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885ALOX15 2102/4885HPGD 1269/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 ALDH1A1 4171/4885ALOX15 1526/4885HPGD 839/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ALDH1A1 4513/4885ALOX15 2150/4885HPGD 833/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885ALOX15 1548/4885HPGD 3468/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885ALOX15 2102/4885HPGD 1269/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 ALDH1A1 283/4885ALOX15 88/4885HPGD 177/4885

“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.