SCHEMBL2096471

SCHEMBL2096471

[CH2]c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 2/20 0.55
CYP2A6 P11509 1/20 0.50
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP2 P50579 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL25407 0.90
SCHEMBL12302096 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA2CA12
SCHEMBL1673427 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA2CA12
SCHEMBL68094 0.83 ALDH1A1 (0.73) ALDH1A1MAPK1CYP2A6CA2CA12
SCHEMBL28224117 0.81 CYP2A6 (0.50) ALDH1A1MAPK1CYP2A6CA2ALOX15
Water SCHEMBL3824552 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1CYP2A6CA2CA12
SCHEMBL21518323 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1CYP2A6CA2CA12
Hydrogen Sulfide SCHEMBL4123828 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1CYP2A6CA2CA12
SCHEMBL1255210 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1CYP2A6CA2CA12
Zinc Chloride SCHEMBL27773254 0.79 CYP2A6 (0.47) ALDH1A1MAPK1CYP2A6CA2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US claimed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP claimed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US claimed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO claimed
CN-111491963-B Method for producing (meth) acrylic composition, coating material containing (meth) acrylic composition, and cured body 三菱瓦斯化学株式会社 2023-04-28 CN disclosed
CN-113710750-B (meth) acrylic composition, coating material containing same, and cured product 三菱瓦斯化学株式会社 2022-07-12 CN disclosed
US-20220145118-A1 (METH)ACRYLIC COMPOSITION, PAINT AND CURING AGENT COMPRISING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-12 US disclosed
US-11326073-B1 (meth)acrylic composition, paint and curing agent comprising same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-10 US disclosed
CN-113710750-A (meth) acrylic composition, coating material containing same, and cured product 三菱瓦斯化学株式会社 2021-11-26 CN disclosed
CN-108603953-B Light diffusing agent, light diffusing resin composition, and molded article 三菱瓦斯化学株式会社 2021-08-24 CN disclosed
CN-109790366-B (meth) acrylic copolymer, resin composition, molded article thereof, and method for producing molded article 三菱瓦斯化学株式会社 2021-04-27 CN disclosed
CN-108822245-B (meth) acrylic acid-based copolymer 三菱瓦斯化学株式会社 2021-02-12 CN disclosed
EP-0310017-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1989-04-05 EP disclosed
US-4721666-A Photographic element FUJI PHOTO FILM CO., LTD. (JP) 1988-01-26 US disclosed
US-4720446-A Color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1988-01-19 US disclosed
US-4596756-A Ethylenically unsaturated monomer, unsaturated nitrile containing monomer FUJI PHOTO FILM CO., LTD. (JP) 1986-06-24 US disclosed
US-4497893-A BACKING CONTAINS GELATIN AND CATIONIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1985-02-05 US disclosed
EP-0129219-A2 Photographic elements FUJI PHOTO FILM CO., LTD. (JP) 1984-12-27 EP disclosed
US-4374924-A CATIONIC POLYMERS COMPRISING QUATERNIZED COPOLYMERS OF P-DIVINYLBENZENE OR A DIACRYLIC ESTER AND AN AMINO-CONTAINING ACRYLIC ESTER OR AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1983-02-22 US disclosed
US-4312940-A FOR ACID DYES; REMOVABLE DURING ALKALINE PROCESSING FUJI PHOTO FILM CO., LTD. (JP) 1982-01-26 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 (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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A ALDH1A1 3429/4885MAPK1 2329/4885CYP2A6 2305/4885

“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.