SCHEMBL6935864

SCHEMBL6935864

CC1=Cc2ccc([N+](=O)[O-])cc2C1(O)C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
GPR35 Q9HC97 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6935861 0.70 KMT2A (0.42) AKR1B1ALDH1A1MEN1KMT2APOLB
SCHEMBL6939243 0.68 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL1922728 0.65 TSHR (0.46) AKR1B1ALDH1A1TDP1TSHRMAPT
SCHEMBL17742881 0.64 ALDH1A1 (0.55) ALDH1A1TDP1TSHRAKR1C3AKR1C2
SCHEMBL17165018 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRAKR1C3AKR1C2
SCHEMBL3584977 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRAKR1C3AKR1C2
SCHEMBL2130850 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRAKR1C3AKR1C2
SCHEMBL3584980 0.63 ALDH1A1 (0.50) ALDH1A1TDP1TSHRAKR1C3AKR1C2
SCHEMBL23174923 0.63 TDP1 (0.42) AKR1B1ALDH1A1TDP1TSHRMEN1
SCHEMBL5804176 0.62 HSD17B10 (0.51) ALDH1A1TSHRAKR1C3AKR1C2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910380-B1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2003-08-13 EP disclosed
US-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof OSI PHARMACEUTICALS, INC. 2002-08-08 US disclosed
US-6403831-B1 5,6-DIFLUORO-2-METHYL-1-(3,4,5-TRIMETHOXY-BENZYLIDENE)-3-(N-BE NZYL)-INDENYL ACETAMIDE; ANTITUMOR AND ANTICARCINOGENIC AGENT USED TO TREAT PRECANCEROUS LESIONS CELL PATHWAYS, INC. 2002-06-11 US disclosed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed
EP-0910380-A4 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2000-09-27 EP disclosed
US-6121321-A IN CARRIER CELL PATHWAYS, INC. (US) 2000-09-19 US disclosed
US-6063818-A Substituted benzylidene indenyl formamides, acetamides and propionamides CELL PATHWAYS INC. (US) 2000-05-16 US disclosed
US-5998477-A MIXTURE OF DRUG AND CARRIER CELL PATHWAYS INC. (US) 1999-12-07 US disclosed
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed
EP-0910380-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES Cell Pathways, Inc. (US) 1999-04-28 EP disclosed
WO-1997047303-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
WO-1997047295-A1 SUBSTITUTED METHOXY BENZYLIDENE INDENYL-ACETIC AND PROPIONIC ACIDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
US-5643959-A Method for treating patients with precancerous lesions by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof CELL PATHWAYS, INC. (US) 1997-07-01 US disclosed
EP-0508586-B1 Substituted indenyl compounds FGN INC (US) 1995-05-31 EP disclosed
US-5401774-A Treatment of potentially cancerous growths UNIVERSITY OF ARIZONA (US) 1995-03-28 US disclosed
EP-0508586-A1 Substituted indenyl compounds FGN, INC. (US) 1992-10-14 EP disclosed
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 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 (1 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-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof VHL, IDH3A, GLI2 AKR1B1 219/4885ALDH1A1 42/4885TDP1 3988/4885

“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.