SCHEMBL2538579

SCHEMBL2538579

[CH2]Cc1cccc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
KIF11 P52732 1/20 0.41
BACE1 P56817 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TACR1 P25103 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CCR9 P51686 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL129591 0.83 CYP1A2 (0.40) HTR2AHTR2CHTR2BCYP1A2CYP2C19
SCHEMBL1653927 0.82 KIF11 (0.49) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL30573009 0.82 KIF11 (0.49) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL5433184 0.82 ACHE (0.46) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL7669047 0.78 HDAC4 (0.47) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL507652 0.78 KIF11 (0.50) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL29755008 0.78 KIF11 (0.50) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL506396 0.78 ACHE (0.43) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL2600025 0.78 IKBKB (0.50) ACHEBCHEHDAC8HDAC4HDAC2
SCHEMBL14020415 0.78 ACHE (0.50) ACHEBCHEHDAC8HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed
US-7179579-B2 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
US-6692883-B2 GENERATING ACID; ADJUSTMENT SOLUBILITY IN ALKLAINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US disclosed
EP-1367439-A1 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2003-12-03 EP disclosed
US-6630280-B1 Resin and compound that generates an arylsulfonic acid when exposed to actinic radiation; sensitivity; resolution; smoothness FUJI PHOTO FILM CO., LTD. (JP) 2003-10-07 US disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-3996193-A POLYALKYLENEPOLYAMINES, DIOLEFIN RUBBER THE DOW CHEMICAL COMPANY (US) 1976-12-07 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 (3 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 ACHE 2143/4885BCHE 760/4885HDAC8 626/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 ACHE 868/4885BCHE 470/4885HDAC8 3105/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 ACHE 826/4885BCHE 447/4885HDAC8 710/4885

“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.