SCHEMBL801219

SCHEMBL801219

COc1ccc(C(C)C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
LMNA P02545 1/20 0.48
TRPA1 O75762 1/20 0.47
PTGS1 P23219 1/20 0.47
CACNA1C Q13936 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 2/20 0.41
CASR P41180 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
GAA P10253 1/20 0.40
GFER P55789 1/20 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
SCHEMBL13304652 0.87 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ACHEAKR1C3
SCHEMBL13413339 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ACHEAKR1C3
SCHEMBL23625170 0.84 LMNA (0.50) HDAC4HDAC8LMNATRPA1PTGS1
SCHEMBL19121357 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ACHEAKR1C3
SCHEMBL5680284 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1ACHE
SCHEMBL16153835 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2AACHE
SCHEMBL23123201 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1ACHE
SCHEMBL12062531 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL16950469 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ACHEAKR1C3
SCHEMBL31465578 0.83 LMNA (0.54) HDAC4HDAC8LMNATRPA1PTGS1

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 328 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20230382926-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2023-11-30 US disclosed
US-11793771-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-10-24 US disclosed
US-11793771-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-10-24 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed
US-6008357-A Resolution of 1-azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-n-[[2-methoxy-5-(1-methylethyl)phenyl]methyl] PFIZER INC (US) 1999-12-28 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (9 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-20230382926-A1 COMPOUNDS AND USES THEREOF CFTR, CCL11, CEL HDAC4 1604/4885HDAC8 1661/4885LMNA 3672/4885
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP HDAC4 1732/4885HDAC8 1309/4885LMNA 1394/4885
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 HDAC4 133/4885HDAC8 188/4885LMNA 4494/4885
US-11793771-B2 Immunomodulator compounds IL2, IL2RA, C3AR1 HDAC4 2532/4885HDAC8 2445/4885LMNA 4728/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 HDAC4 42/4885HDAC8 634/4885LMNA 4868/4885
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 HDAC4 53/4885HDAC8 80/4885LMNA 4082/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 HDAC4 318/4885HDAC8 569/4885LMNA 691/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA HDAC4 242/4885HDAC8 191/4885LMNA 320/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 HDAC4 3234/4885HDAC8 1168/4885LMNA 1696/4885

“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.