SCHEMBL4371063

SCHEMBL4371063

C[CH]C(=O)OCCCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.63
ATM Q13315 1/20 0.59
NAAA Q02083 1/20 0.57
TSHR P16473 5/20 0.55
HPGD P15428 1/20 0.55
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FAAH O00519 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 4/20 0.47

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
SCHEMBL4364153 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL8376821 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL8379400 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL1245209 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL5239452 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL4369309 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL5238456 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL697992 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL8390518 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD
SCHEMBL8378847 1.00 HCAR2 (0.63) HCAR2ATMNAAATSHRHPGD

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-2009019173-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2009-02-12 WO disclosed
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
US-6720421-B2 STORAGE STABILITY: GOOD RAW-STOCK STORABILITY BEFORE RECORDING AND GOOD IMAGE STORABILITY AFTER RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030166961-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative FUJI PHOTO FILM CO., LTD. 2003-09-04 US disclosed
EP-0853077-B1 Process for producing alkyl 3-amino-4-substituted benzoates SANKIO CHEMICAL CO LTD (JP) 2003-04-16 EP disclosed
US-20020161225-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative FUJI PHOTO FILM CO., LTD. 2002-10-31 US disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
US-5908955-A 3-AMINO-4-SUBSTITUTED BENZOIC ACID OR AN ALKALI METAL SALT THEREOF IS ALLOWED TO REACT WITH AN ALKYL HALIDE IN THE PRESENCE OF A BASIC CARBONATE SANKIO CHEMICAL CO., LTD. (JP) 1999-06-01 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed
EP-0514332-B1 Bis-phosphites CIBA GEIGY AG (CH) 1996-04-17 EP disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0523543-B1 Chiral piperazine derivatives HOFFMANN LA ROCHE (CH) 1996-02-07 EP disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed
EP-0317983-B1 Silver halide color photographic material FUJI PHOTO FILM CO LTD (JP) 1994-06-01 EP disclosed
US-5308902-A Heterocyclic fused ring structures, stabilizers for PVC and polyolefins CIBA-GEIGY CORPORATION (US) 1994-05-03 US disclosed
EP-0523543-A1 Chiral piperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
EP-0514332-A1 Bis-phosphites CIBA-GEIGY AG (CH) 1992-11-19 EP disclosed
US-5100771-A SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL WITH WATER INSOLUBLE ORGANIC SOLVENT SOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1992-03-31 US disclosed
EP-0317983-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-31 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-20030166961-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative UROD, ATIC, DDC HCAR2 1356/4885ATM 2143/4885NAAA 245/4885
US-20020161225-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative UROD, ATIC, DDC HCAR2 1356/4885ATM 2143/4885NAAA 245/4885

“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.