SCHEMBL980987

SCHEMBL980987

Cc1ccccc1OC(=O)Nc1ccc(Cc2ccc(NC(=O)Oc3ccccc3C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
FAAH O00519 3/20 0.54
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
NOTUM Q6P988 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46

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
SCHEMBL8048675 0.85 NOTUM (0.59) ALDH1A1HPGDFAAHATMRAB9A
SCHEMBL25488355 0.85 ATM (0.71) ALDH1A1LMNAFAAHATMRAB9A
SCHEMBL990679 0.84 FAAH (0.60) ALDH1A1LMNAHPGDFAAHATM
SCHEMBL1022923 0.83 SAE1 (0.54) ALDH1A1LMNAHPGDFAAHRAB9A
SCHEMBL987843 0.80 FAAH (0.53) LMNAFAAHATMRAB9AMAPT
SCHEMBL1834603 0.79 ALDH1A1 (0.61) ALDH1A1LMNAHPGDFAAHATM
SCHEMBL989358 0.78 FAAH (0.53) LMNAFAAHRAB9A
SCHEMBL13104422 0.78 ALDH1A1 (0.63) ALDH1A1LMNAHPGDFAAHTDP1
SCHEMBL1835529 0.78 ALDH1A1 (0.49) ALDH1A1LMNAFAAHATMRAB9A
SCHEMBL983506 0.78 ALDH1A1 (0.68) ALDH1A1LMNAHPGDFAAHTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9950273-B2 Method of separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-04-24 US disclosed
US-20180105489-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed
US-9884810-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-02-06 US disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
US-20140332367-A1 Method of Separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-13 US disclosed
EP-2641896-A1 SEPARATION METHOD Asahi Kasei Chemicals Corporation (JP) 2013-09-25 EP disclosed
EP-2626345-A1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2013-08-14 EP disclosed
US-20130184488-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-18 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-4096291-A HYDROXYL COMPOUNDS AND BLOCKED POLYISOCYANATES; CROSSLINKING BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed
US-4005056-A Process for the preparation of polyhydantoins and polyparanic acids BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 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 (6 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ALDH1A1 2204/4885LMNA 2379/4885HPGD 265/4885
US-20140332367-A1 Method of Separation CCKBR, MAOB, CA9 ALDH1A1 259/4885LMNA 1877/4885HPGD 208/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ALDH1A1 3223/4885LMNA 3368/4885HPGD 164/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 ALDH1A1 278/4885LMNA 1338/4885HPGD 262/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 ALDH1A1 278/4885LMNA 1338/4885HPGD 262/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 ALDH1A1 278/4885LMNA 1338/4885HPGD 262/4885

“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.