SCHEMBL3789208

SCHEMBL3789208

c1ccc(CCOP(OCCc2ccccc2)OCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
MAOA P21397 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
SCHEMBL11673536 0.87 CA1 (0.46) CA1CA2CA9IDO1ALDH1A1
SCHEMBL11550954 0.86 IDO1 (0.59) IDO1NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL11551499 0.84 IDO1 (0.57) IDO1NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL11550038 0.84 IDO1 (0.57) IDO1NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL11255629 0.82 SIGMAR1 (0.53) IDO1TDP1MAOAMAOB
SCHEMBL11248744 0.82 SIGMAR1 (0.53) IDO1TDP1MAOAMAOB
SCHEMBL2129084 0.81 TDP1 (0.46) CA1CA2CA9IDO1ALDH1A1
SCHEMBL3792731 0.81 IDO1 (0.48) CA1CA2CA9IDO1ALDH1A1
SCHEMBL10701795 0.78 TDP1 (0.47) CA1CA2CA9IDO1ALDH1A1
SCHEMBL20710735 0.78 IDO1 (0.50) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262061-B1 PROCESS FOR STABILIZING CHLORINATION MIXTURES OF PHENOL AND/OR CHLOROPHENOLS RHONE-POULENC CHIMIE (FR) 1993-02-24 EP claimed
US-4853153-A USING REDUCING AGENT AND CHLORINATED CYCLIC KETONE RHONE-POULENC CHIMIE (FR) 1989-08-01 US claimed
US-11091508-B2 Fosaprepitant phosphate intermediate and preparation method therefor SHANGHAI AOBO PHARMTECH, INC., LTD. (CN) 2021-08-17 US disclosed
US-20190144477-A1 FOSAPREPITANT PHOSPHATE INTERMEDIATE AND PREPARATION METHOD THEREFOR SHANGHAI AOBO PHARMTECH, INC., LTD. (CN) 2019-05-16 US disclosed
EP-2075317-B1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE IDEMITSU KOSAN CO (JP) 2015-11-04 EP disclosed
US-8926857-B2 Lubricant for compression refrigerating machine and refrigerating apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-06 US disclosed
US-8491811-B2 Lubricant for compression refrigerating machine and refrigerating apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-07-23 US disclosed
EP-2075316-B1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE IDEMITSU KOSAN CO (JP) 2013-05-29 EP disclosed
US-20100037648-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-02-18 US disclosed
US-20100005829-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-14 US disclosed
EP-2075317-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2009-07-01 EP disclosed
US-4209431-A OXIDATION AND HEAT RESISTANCE WITCO CHEMICAL CORPORATION (US) 1980-06-24 US disclosed
US-4181642-A Process for the production of a glycidyl group containing acrylic resin and its use DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-01-01 US disclosed
US-4110306-A Stabilizers for synthetic polymers comprising 2,2,6,6-tetramethyl-4-piperidyl carboxylic acid ester, a triphosphite, and an acid phosphite or salt thereof ARGUS CHEMICAL CORPORATION (US) 1978-08-29 US disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed
US-4086304-A SALT OF A METAL OF GROUP I OR II AND AN ORGANIC ACID AKZONA INCORPORATED (US) 1978-04-25 US disclosed
US-4080364-A Stabilization of polyolefins against degradative deterioration as a result of exposure to light and air at elevated temperatures ARGUS CHEMICAL CORPORATION (US) 1978-03-21 US disclosed
US-3998782-A AGAINST HEAT AKZO N.V. (NL) 1976-12-21 US disclosed
US-3997551-A OXIDATION RESISTANCE, STABILIZE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1976-12-14 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 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 (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-11091508-B2 Fosaprepitant phosphate intermediate and preparation method therefor VIPR1, VIP, CYP4A11 CA1 1540/4885CA2 1244/4885CA9 1563/4885
US-20190144477-A1 FOSAPREPITANT PHOSPHATE INTERMEDIATE AND PREPARATION METHOD THEREFOR VIPR1, VIP, CYP4A11 CA1 1540/4885CA2 1244/4885CA9 1563/4885

“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.