SCHEMBL596277

SCHEMBL596277

C[CH]c1ccccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
CA2 P00918 1/20 0.44
ALOX12 P18054 2/20 0.44
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KIF11 P52732 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
MAPT P10636 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NFKB1 P19838 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32

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
SCHEMBL5435012 0.84 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL8576453 0.84 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL10382469 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL31348027 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL15525730 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL676429 0.81 ALOX12 (0.43) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL29801228 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL27805 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL5868149 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2ALOX12
SCHEMBL18601365 0.80 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-01 US disclosed
EP-3263622-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME Nissan Chemical Industries, Ltd. (JP) 2018-01-03 EP disclosed
EP-1990682-B1 Electrophotographic photoreceptor, and image forming apparatus and process cartridge using the same RICOH CO LTD (JP) 2015-01-21 EP disclosed
US-8895560-B2 Opioid antagonists ADOLOR CORPORATION (US) 2014-11-25 US disclosed
US-20140186951-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2014-07-03 US disclosed
US-20130317035-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2013-11-28 US disclosed
US-8580788-B2 Opioid antagonists ADOLOR CORPORATION (US) 2013-11-12 US disclosed
EP-1940412-B1 NOVEL OPIOID ANTAGONISTS ADOLOR CORP (US) 2013-01-23 EP disclosed
US-8278323-B2 Opioid antagonists ADOLOR CORPORATION (US) 2012-10-02 US disclosed
US-20120231543-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2012-09-13 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
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
EP-0434079-B1 N,N'-hydrocarbylenebis(N-hals-substituted amic acid hydrazides) and their derivatives ATOCHEM NORTH AMERICA (US) 1995-09-20 EP disclosed
CN-1047859-A Benzo cycloalkane derivatives and preparation method thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-12-19 CN disclosed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 EP 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 (4 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-20120231543-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALDH1A1 761/4885TDP1 4543/4885TSHR 722/4885
US-20130317035-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALDH1A1 761/4885TDP1 4543/4885TSHR 722/4885
US-20180030200-A1 FLUORINE ATOM-CONTAINING POLYMER AND USE OF SAME AFF2, AFF1, AFF4 ALDH1A1 2629/4885TDP1 962/4885TSHR 2722/4885
US-20140186951-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALDH1A1 761/4885TDP1 4543/4885TSHR 722/4885

“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.