SCHEMBL8060232

SCHEMBL8060232

COc1cc(OC)cc(OC(=O)Oc2cc(OC)cc(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
RXRA P19793 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL16675176 0.88 CES2 (0.52) ALDH1A1KMT2ASMN1; SMN2GAACYP3A4
SCHEMBL15416194 0.82 CA1 (0.66) ALDH1A1KMT2APOLBRXRASMN1; SMN2
SCHEMBL919577 0.82 ALDH1A1 (0.55) ALDH1A1KMT2APOLBSMN1; SMN2CYP3A4
SCHEMBL30463307 0.81 CES2 (0.59) KMT2APOLBMEN1KDM4E
SCHEMBL8048513 0.81 CES2 (0.59) KMT2APOLBMEN1KDM4E
SCHEMBL9237989 0.81 KMT2A (0.42) ALDH1A1KMT2APOLBSMN1; SMN2GAA
SCHEMBL11985728 0.81 ELANE (0.46) ALDH1A1KMT2APOLBSMN1; SMN2GAA
SCHEMBL6403298 0.80 ALDH1A1 (0.52) ALDH1A1KMT2APOLBRXRACYP1A1
SCHEMBL11009763 0.80 ALOX5 (0.51) ALDH1A1KMT2ASMN1; SMN2GAACYP3A4
SCHEMBL1398350 0.79 CES2 (0.58) ALDH1A1KMT2ASMN1; SMN2GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745254-B2 Two-step and one-pot processes for preparation of aliphatic diisocyanates GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2017-08-29 US claimed
US-20170015621-A1 TWO-STEP AND ONE-POT PROCESSES FOR PREPARATION OF ALIPHATIC DIISOCYANATES GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2017-01-19 US claimed
US-9012676-B2 Processes for producing aryl carbamates, isocynates and polyureas using diaryl carbonate GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (CN) 2015-04-21 US claimed
US-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-03-28 US claimed
CN-108250406-B Soft segment-containing polyurethane, polyisocyanate, polyurethane prepolymer, polyurethane elastomer and preparation method thereof 大东树脂化学股份有限公司 2021-06-15 CN disclosed
US-9012676-B2 Processes for producing aryl carbamates, isocynates and polyureas using diaryl carbonate GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (CN) 2015-04-21 US disclosed
US-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-03-28 US disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 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 (2 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-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE UROD, DDC, TST ALDH1A1 4595/4885KMT2A 1168/4885POLB 387/4885
US-20170015621-A1 TWO-STEP AND ONE-POT PROCESSES FOR PREPARATION OF ALIPHATIC DIISOCYANATES PARG, CDIPT, CDS2 ALDH1A1 2280/4885KMT2A 657/4885POLB 900/4885

“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.